Input buildinfo: https://buildinfos.debian.net/buildinfo-pool/g/gromacs/gromacs_2020.6-2_all.buildinfo Use metasnap for getting required timestamps New buildinfo file: /tmp/gromacs-2020.6-2t3rozgmj/gromacs_2020.6-2_all.buildinfo Get source package info: gromacs=2020.6-2 Source URL: http://snapshot.notset.fr/mr/package/gromacs/2020.6-2/srcfiles?fileinfo=1 env -i PATH=/usr/sbin:/usr/bin:/sbin:/bin TMPDIR=/tmp mmdebstrap --arch=amd64 --include=adduser=3.118 autoconf=2.69-14 automake=1:1.16.3-2 autopoint=0.21-4 autotools-dev=20180224.1+nmu1 base-files=11 base-passwd=3.5.49 bash=5.1-2+b1 binutils=2.35.2-2 binutils-common=2.35.2-2 binutils-x86-64-linux-gnu=2.35.2-2 bsdextrautils=2.36.1-7 bsdutils=1:2.36.1-7 build-essential=12.9 bzip2=1.0.8-4 ca-certificates=20210119 chrpath=0.16-2+b1 cmake=3.18.4-2 cmake-data=3.18.4-2 coreutils=8.32-4+b1 cpp=4:10.2.1-1 cpp-10=10.2.1-6 dash=0.5.11+git20210120+802ebd4-1 debconf=1.5.76 debhelper=13.3.4 debianutils=4.11.2 dh-autoreconf=20 dh-strip-nondeterminism=1.11.0-1 diffutils=1:3.7-5 distro-info-data=0.46 docutils-common=0.16+dfsg-3 doxygen=1.9.1-2 dpkg=1.20.7.1 dpkg-dev=1.20.7.1 dwz=0.14-1 file=1:5.39-3 findutils=4.8.0-1 fontconfig=2.13.1-4.2 fontconfig-config=2.13.1-4.2 fonts-lmodern=2.004.5-6.1 fonts-urw-base35=20200910-1 g++=4:10.2.1-1 g++-10=10.2.1-6 gcc=4:10.2.1-1 gcc-10=10.2.1-6 gcc-10-base=10.2.1-6 gettext=0.21-4 gettext-base=0.21-4 gfortran=4:10.2.1-1 gfortran-10=10.2.1-6 ghostscript=9.53.3~dfsg-7 graphviz=2.42.2-4+b2 grep=3.6-1 groff-base=1.22.4-6 gzip=1.10-4 hicolor-icon-theme=0.17-2 hostname=3.23 hwloc-nox=2.4.1+dfsg-1 ibverbs-providers=33.1-1 imagemagick=8:6.9.11.60+dfsg-1 imagemagick-6-common=8:6.9.11.60+dfsg-1 imagemagick-6.q16=8:6.9.11.60+dfsg-1 init-system-helpers=1.60 intltool-debian=0.35.0+20060710.5 libacl1=2.2.53-10 libann0=1.1.2+doc-7 libaom0=1.0.0.errata1-3 libapache-pom-java=18-1 libarchive-zip-perl=1.68-1 libarchive13=3.4.3-2+b1 libasan6=10.2.1-6 libatomic1=10.2.1-6 libattr1=1:2.4.48-6 libaudit-common=1:3.0-2 libaudit1=1:3.0-2 libavahi-client3=0.8-5 libavahi-common-data=0.8-5 libavahi-common3=0.8-5 libbinutils=2.35.2-2 libblas-dev=3.9.0-3 libblas3=3.9.0-3 libblkid1=2.36.1-7 libboost-dev=1.74.0.3 libboost1.74-dev=1.74.0-9 libbrotli1=1.0.9-2+b2 libbsd0=0.11.3-1 libbz2-1.0=1.0.8-4 libc-bin=2.31-10 libc-dev-bin=2.31-10 libc6=2.31-10 libc6-dev=2.31-10 libcairo2=1.16.0-5 libcap-ng0=0.7.9-2.2+b1 libcbor0=0.5.0+dfsg-2 libcc1-0=10.2.1-6 libcdt5=2.42.2-4+b2 libcgraph6=2.42.2-4+b2 libclang-cpp11=1:11.0.1-2 libclang1-11=1:11.0.1-2 libcom-err2=1.46.2-1 libcommons-logging-java=1.2-2 libcommons-parent-java=43-1 libcrypt-dev=1:4.4.18-2 libcrypt1=1:4.4.18-2 libctf-nobfd0=2.35.2-2 libctf0=2.35.2-2 libcups2=2.3.3op2-3 libcurl4=7.74.0-1.1 libdatrie1=0.2.13-1 libdav1d4=0.7.1-3 libdb5.3=5.3.28+dfsg1-0.8 libdbus-1-3=1.12.20-2 libde265-0=1.0.8-1 libdebconfclient0=0.257 libdebhelper-perl=13.3.4 libdeflate0=1.7-1 libdpkg-perl=1.20.7.1 libedit2=3.1-20191231-2+b1 libelf1=0.183-3 libevent-2.1-7=2.1.12-stable-1 libevent-core-2.1-7=2.1.12-stable-1 libevent-dev=2.1.12-stable-1 libevent-extra-2.1-7=2.1.12-stable-1 libevent-openssl-2.1-7=2.1.12-stable-1 libevent-pthreads-2.1-7=2.1.12-stable-1 libexpat1=2.2.10-2 libfabric1=1.11.0-2 libffi7=3.3-6 libfftw3-bin=3.3.8-2 libfftw3-dev=3.3.8-2 libfftw3-double3=3.3.8-2 libfftw3-long3=3.3.8-2 libfftw3-quad3=3.3.8-2 libfftw3-single3=3.3.8-2 libfido2-1=1.6.0-2 libfile-stripnondeterminism-perl=1.11.0-1 libfontbox-java=1:1.8.16-2 libfontconfig1=2.13.1-4.2 libfreetype6=2.10.4+dfsg-1 libfribidi0=1.0.8-2 libgcc-10-dev=10.2.1-6 libgcc-s1=10.2.1-6 libgcrypt20=1.8.7-3 libgd3=2.3.0-2 libgdbm-compat4=1.19-2 libgdbm6=1.19-2 libgfortran-10-dev=10.2.1-6 libgfortran5=10.2.1-6 libglib2.0-0=2.66.8-1 libgmp10=2:6.2.1+dfsg-1 libgnutls30=3.7.1-1 libgomp1=10.2.1-6 libgpg-error0=1.38-2 libgraphite2-3=1.3.14-1 libgs9=9.53.3~dfsg-7 libgs9-common=9.53.3~dfsg-7 libgssapi-krb5-2=1.18.3-4 libgts-0.7-5=0.7.6+darcs121130-4+b1 libgvc6=2.42.2-4+b2 libgvpr2=2.42.2-4+b2 libharfbuzz0b=2.7.4-1 libheif1=1.11.0-1 libhogweed6=3.7-2.1 libhwloc-dev=2.4.1+dfsg-1 libhwloc-plugins=2.4.1+dfsg-1 libhwloc15=2.4.1+dfsg-1 libibverbs-dev=33.1-1 libibverbs1=33.1-1 libice6=2:1.0.10-1 libicu67=67.1-6 libidn11=1.33-3 libidn2-0=2.3.0-5 libijs-0.35=0.35-15 libisl23=0.23-1 libitm1=10.2.1-6 libjbig0=2.1-3.1+b2 libjbig2dec0=0.19-2 libjpeg62-turbo=1:2.0.6-4 libjs-jquery=3.5.1+dfsg+~3.5.5-7 libjs-jquery-ui=1.12.1+dfsg-8 libjs-sphinxdoc=3.4.3-2 libjs-underscore=1.9.1~dfsg-1 libjsoncpp24=1.9.4-4 libk5crypto3=1.18.3-4 libkeyutils1=1.6.1-2 libkpathsea6=2020.20200327.54578-7 libkrb5-3=1.18.3-4 libkrb5support0=1.18.3-4 liblab-gamut1=2.42.2-4+b2 liblapack-dev=3.9.0-3 liblapack3=3.9.0-3 liblcms2-2=2.12~rc1-2 libldap-2.4-2=2.4.57+dfsg-2 libllvm11=1:11.0.1-2 liblqr-1-0=0.4.2-2.1 liblsan0=10.2.1-6 libltdl-dev=2.4.6-15 libltdl7=2.4.6-15 liblz4-1=1.9.3-1 liblzma5=5.2.5-2 libmagic-mgc=1:5.39-3 libmagic1=1:5.39-3 libmagickcore-6.q16-6=8:6.9.11.60+dfsg-1 libmagickwand-6.q16-6=8:6.9.11.60+dfsg-1 libmd0=1.0.3-3 libmount1=2.36.1-7 libmpc3=1.2.0-1 libmpdec3=2.5.1-2 libmpfr6=4.1.0-3 libmpich-dev=3.4.1-3 libmpich12=3.4.1-3 libncurses6=6.2+20201114-2 libncursesw6=6.2+20201114-2 libnettle8=3.7-2.1 libnghttp2-14=1.43.0-1 libnl-3-200=3.4.0-1+b1 libnl-3-dev=3.4.0-1+b1 libnl-route-3-200=3.4.0-1+b1 libnl-route-3-dev=3.4.0-1+b1 libnsl-dev=1.3.0-2 libnsl2=1.3.0-2 libnuma-dev=2.0.12-1+b1 libnuma1=2.0.12-1+b1 libopenjp2-7=2.4.0-3 libopenmpi-dev=4.1.0-8 libopenmpi3=4.1.0-8 libp11-kit0=0.23.22-1 libpam-modules=1.4.0-7 libpam-modules-bin=1.4.0-7 libpam-runtime=1.4.0-7 libpam0g=1.4.0-7 libpango-1.0-0=1.46.2-3 libpangocairo-1.0-0=1.46.2-3 libpangoft2-1.0-0=1.46.2-3 libpaper-utils=1.1.28+b1 libpaper1=1.1.28+b1 libpathplan4=2.42.2-4+b2 libpciaccess0=0.16-1 libpcre2-8-0=10.36-2 libpcre3=2:8.39-13 libpdfbox-java=1:1.8.16-2 libperl5.32=5.32.1-3 libpipeline1=1.5.3-1 libpixman-1-0=0.40.0-1 libpmix-dev=4.0.0-4 libpmix2=4.0.0-4 libpng16-16=1.6.37-3 libprocps8=2:3.3.17-4 libpsl5=0.21.0-1.2 libpsm-infinipath1=3.3+20.604758e7-6.1 libpsm2-2=11.2.185-1 libptexenc1=2020.20200327.54578-7 libpthread-stubs0-dev=0.4-1 libpython3-stdlib=3.9.2-2 libpython3.9-minimal=3.9.2-1 libpython3.9-stdlib=3.9.2-1 libquadmath0=10.2.1-6 librdmacm1=33.1-1 libreadline8=8.1-1 librhash0=1.4.1-2 librtmp1=2.4+20151223.gitfa8646d.1-2+b2 libsasl2-2=2.1.27+dfsg-2.1 libsasl2-modules-db=2.1.27+dfsg-2.1 libseccomp2=2.5.1-1 libselinux1=3.1-3 libsemanage-common=3.1-1 libsemanage1=3.1-1+b2 libsepol1=3.1-1 libsigsegv2=2.13-1 libslurm36=20.11.4-1 libsm6=2:1.2.3-1 libsmartcols1=2.36.1-7 libsqlite3-0=3.34.1-3 libssh2-1=1.9.0-3 libssl1.1=1.1.1k-1 libstdc++-10-dev=10.2.1-6 libstdc++6=10.2.1-6 libsub-override-perl=0.09-2 libsynctex2=2020.20200327.54578-7 libsystemd0=247.3-3 libtasn1-6=4.16.0-2 libteckit0=2.5.10+ds1-3 libtexlua53=2020.20200327.54578-7 libtexluajit2=2020.20200327.54578-7 libthai-data=0.1.28-4 libthai0=0.1.28-4 libtiff5=4.2.0-1 libtinfo6=6.2+20201114-2 libtirpc-common=1.3.1-1 libtirpc-dev=1.3.1-1 libtirpc3=1.3.1-1 libtool=2.4.6-15 libtsan0=10.2.1-6 libubsan1=10.2.1-6 libuchardet0=0.0.7-1 libucx0=1.10.0~rc1-7 libudev1=247.3-3 libunistring2=0.9.10-4 libuuid1=2.36.1-7 libuv1=1.40.0-1 libwebp6=0.6.1-2+b1 libwebpdemux2=0.6.1-2+b1 libwebpmux3=0.6.1-2+b1 libx11-6=2:1.7.0-2 libx11-data=2:1.7.0-2 libx11-dev=2:1.7.0-2 libx265-192=3.4-2 libxapian30=1.4.18-3 libxau-dev=1:1.0.9-1 libxau6=1:1.0.9-1 libxaw7=2:1.0.13-1.1 libxcb-render0=1.14-3 libxcb-shm0=1.14-3 libxcb1=1.14-3 libxcb1-dev=1.14-3 libxdmcp-dev=1:1.1.2-3 libxdmcp6=1:1.1.2-3 libxext6=2:1.3.3-1.1 libxi6=2:1.7.10-1 libxml2=2.9.10+dfsg-6.3+b1 libxmu6=2:1.1.2-2+b3 libxnvctrl0=460.56-1 libxpm4=1:3.5.12-1 libxrender1=1:0.9.10-1 libxt6=1:1.2.0-1 libz3-4=4.8.10-1 libzstd1=1.4.8+dfsg-2.1 libzzip-0-13=0.13.62-3.3 linux-libc-dev=5.10.26-1 login=1:4.8.1-1 lsb-base=11.1.0 lsb-release=11.1.0 m4=1.4.18-5 make=4.3-4 man-db=2.9.4-2 mawk=1.3.4.20200120-2 media-types=4.0.0 mpich=3.4.1-3 mscgen=0.20-14 ncurses-base=6.2+20201114-2 ncurses-bin=6.2+20201114-2 ocl-icd-libopencl1=2.2.14-2 openmpi-bin=4.1.0-8 openmpi-common=4.1.0-8 openssh-client=1:8.4p1-5 openssl=1.1.1k-1 passwd=1:4.8.1-1 patch=2.7.6-7 perl=5.32.1-3 perl-base=5.32.1-3 perl-modules-5.32=5.32.1-3 po-debconf=1.0.21+nmu1 poppler-data=0.4.10-1 preview-latex-style=12.2-1 procps=2:3.3.17-4 python-babel-localedata=2.8.0+dfsg.1-6 python3=3.9.2-2 python3-alabaster=0.7.8-1.1 python3-babel=2.8.0+dfsg.1-6 python3-certifi=2020.6.20-1 python3-chardet=4.0.0-1 python3-distutils=3.9.2-1 python3-docutils=0.16+dfsg-3 python3-idna=2.10-1 python3-imagesize=1.2.0-2 python3-jinja2=2.11.3-1 python3-lib2to3=3.9.2-1 python3-markupsafe=1.1.1-1+b3 python3-minimal=3.9.2-2 python3-packaging=20.9-2 python3-pkg-resources=52.0.0-3 python3-pygments=2.7.1+dfsg-2 python3-pyparsing=2.4.7-1 python3-requests=2.25.1+dfsg-2 python3-roman=2.0.0-5 python3-six=1.15.0-2 python3-snowballstemmer=2.1.0-1 python3-sphinx=3.4.3-2 python3-tz=2021.1-1 python3-urllib3=1.26.2-1 python3.9=3.9.2-1 python3.9-minimal=3.9.2-1 rdfind=1.4.1-1+b3 readline-common=8.1-1 sed=4.7-1 sensible-utils=0.0.14 sgml-base=1.30 sphinx-common=3.4.3-2 symlinks=1.4-4 sysvinit-utils=2.96-6 t1utils=1.41-4 tar=1.34+dfsg-1 tex-common=6.16 texlive-base=2020.20210202-3 texlive-binaries=2020.20200327.54578-7 texlive-fonts-recommended=2020.20210202-3 texlive-latex-base=2020.20210202-3 texlive-latex-extra=2020.20210202-3 texlive-latex-recommended=2020.20210202-3 texlive-pictures=2020.20210202-3 tzdata=2021a-1 ucf=3.0043 util-linux=2.36.1-7 x11-common=1:7.7+22 x11proto-dev=2020.1-1 xdg-utils=1.1.3-4 xml-core=0.18+nmu1 xorg-sgml-doctools=1:1.11-1.1 xtrans-dev=1.4.0-1 xz-utils=5.2.5-2 zlib1g=1:1.2.11.dfsg-2 zlib1g-dev=1:1.2.11.dfsg-2 --variant=apt --aptopt=Acquire::Check-Valid-Until "false" --aptopt=Acquire::http::Dl-Limit "1000"; --aptopt=Acquire::https::Dl-Limit "1000"; --aptopt=Acquire::Retries "5"; --aptopt=APT::Get::allow-downgrades "true"; --keyring=/usr/share/keyrings/ --essential-hook=chroot "$1" sh -c "apt-get --yes install fakeroot util-linux" --essential-hook=copy-in /usr/share/keyrings/debian-archive-bullseye-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-security-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-stable.gpg /usr/share/keyrings/debian-archive-buster-automatic.gpg /usr/share/keyrings/debian-archive-buster-security-automatic.gpg /usr/share/keyrings/debian-archive-buster-stable.gpg /usr/share/keyrings/debian-archive-keyring.gpg /usr/share/keyrings/debian-archive-removed-keys.gpg /usr/share/keyrings/debian-archive-stretch-automatic.gpg /usr/share/keyrings/debian-archive-stretch-security-automatic.gpg /usr/share/keyrings/debian-archive-stretch-stable.gpg /usr/share/keyrings/debian-ports-archive-keyring-removed.gpg /usr/share/keyrings/debian-ports-archive-keyring.gpg /usr/share/keyrings/debian-keyring.gpg /etc/apt/trusted.gpg.d/ --essential-hook=chroot "$1" sh -c "rm /etc/apt/sources.list && echo 'deb http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb-src http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb http://snapshot.notset.fr/archive/debian/20210330T090157Z/ unstable main' >> /etc/apt/sources.list && apt-get update" --customize-hook=chroot "$1" useradd --no-create-home -d /nonexistent -p "" builduser -s /bin/bash --customize-hook=chroot "$1" env sh -c "apt-get source --only-source -d gromacs=2020.6-2 && mkdir -p /build/gromacs-lj8Hdg && dpkg-source --no-check -x /*.dsc /build/gromacs-lj8Hdg/gromacs-2020.6 && chown -R builduser:builduser /build/gromacs-lj8Hdg" --customize-hook=chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/gromacs-lj8Hdg/gromacs-2020.6 && env DEB_BUILD_OPTIONS="parallel=4" LANG="C.UTF-8" LC_ALL="C.UTF-8" SOURCE_DATE_EPOCH="1616993103" dpkg-buildpackage -uc -a amd64 --build=all" --customize-hook=sync-out /build/gromacs-lj8Hdg /tmp/gromacs-2020.6-2t3rozgmj bullseye /dev/null deb http://snapshot.notset.fr/archive/debian/20210330T090157Z unstable main I: automatically chosen mode: root I: chroot architecture amd64 is equal to the host's architecture I: automatically chosen format: tar I: using /tmp/mmdebstrap.TPuubBgHsZ as tempdir I: running apt-get update... I: downloading packages with apt... I: extracting archives... I: installing essential packages... I: running --essential-hook in shell: sh -c 'chroot "$1" sh -c "apt-get --yes install fakeroot util-linux"' exec /tmp/mmdebstrap.TPuubBgHsZ Reading package lists... Building dependency tree... util-linux is already the newest version (2.36.1-7). The following NEW packages will be installed: fakeroot libfakeroot 0 upgraded, 2 newly installed, 0 to remove and 0 not upgraded. Need to get 134 kB of archives. After this operation, 397 kB of additional disk space will be used. Get:1 http://snapshot.notset.fr/archive/debian/20210330T090157Z unstable/main amd64 libfakeroot amd64 1.25.3-1.1 [47.0 kB] Get:2 http://snapshot.notset.fr/archive/debian/20210330T090157Z unstable/main amd64 fakeroot amd64 1.25.3-1.1 [87.0 kB] debconf: delaying package configuration, since apt-utils is not installed Fetched 134 kB in 0s (680 kB/s) Selecting previously unselected package libfakeroot:amd64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 4663 files and directories currently installed.) Preparing to unpack .../libfakeroot_1.25.3-1.1_amd64.deb ... Unpacking libfakeroot:amd64 (1.25.3-1.1) ... Selecting previously unselected package fakeroot. Preparing to unpack .../fakeroot_1.25.3-1.1_amd64.deb ... Unpacking fakeroot (1.25.3-1.1) ... Setting up libfakeroot:amd64 (1.25.3-1.1) ... Setting up fakeroot (1.25.3-1.1) ... update-alternatives: using /usr/bin/fakeroot-sysv to provide /usr/bin/fakeroot (fakeroot) in auto mode Processing triggers for libc-bin (2.31-10) ... I: running special hook: copy-in /usr/share/keyrings/debian-archive-bullseye-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-security-automatic.gpg /usr/share/keyrings/debian-archive-bullseye-stable.gpg /usr/share/keyrings/debian-archive-buster-automatic.gpg /usr/share/keyrings/debian-archive-buster-security-automatic.gpg /usr/share/keyrings/debian-archive-buster-stable.gpg /usr/share/keyrings/debian-archive-keyring.gpg /usr/share/keyrings/debian-archive-removed-keys.gpg /usr/share/keyrings/debian-archive-stretch-automatic.gpg /usr/share/keyrings/debian-archive-stretch-security-automatic.gpg /usr/share/keyrings/debian-archive-stretch-stable.gpg /usr/share/keyrings/debian-ports-archive-keyring-removed.gpg /usr/share/keyrings/debian-ports-archive-keyring.gpg /usr/share/keyrings/debian-keyring.gpg /etc/apt/trusted.gpg.d/ I: running --essential-hook in shell: sh -c 'chroot "$1" sh -c "rm /etc/apt/sources.list && echo 'deb http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb-src http://snapshot.notset.fr/archive/debian/20210814T212851Z/ bookworm main deb http://snapshot.notset.fr/archive/debian/20210330T090157Z/ unstable main' >> /etc/apt/sources.list && apt-get update"' exec /tmp/mmdebstrap.TPuubBgHsZ Get:1 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm InRelease [81.6 kB] Hit:2 http://snapshot.notset.fr/archive/debian/20210330T090157Z unstable InRelease Ign:3 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources Ign:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages Ign:3 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources Ign:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages Ign:3 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources Ign:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages Get:3 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main Sources [11.4 MB] Get:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main amd64 Packages [11.1 MB] Fetched 22.6 MB in 20s (1128 kB/s) Reading package lists... I: installing remaining packages inside the chroot... I: running --customize-hook in shell: sh -c 'chroot "$1" useradd --no-create-home -d /nonexistent -p "" builduser -s /bin/bash' exec /tmp/mmdebstrap.TPuubBgHsZ I: running --customize-hook in shell: sh -c 'chroot "$1" env sh -c "apt-get source --only-source -d gromacs=2020.6-2 && mkdir -p /build/gromacs-lj8Hdg && dpkg-source --no-check -x /*.dsc /build/gromacs-lj8Hdg/gromacs-2020.6 && chown -R builduser:builduser /build/gromacs-lj8Hdg"' exec /tmp/mmdebstrap.TPuubBgHsZ Reading package lists... NOTICE: 'gromacs' packaging is maintained in the 'Git' version control system at: https://salsa.debian.org/debichem-team/gromacs.git Please use: git clone https://salsa.debian.org/debichem-team/gromacs.git to retrieve the latest (possibly unreleased) updates to the package. Need to get 77.8 MB of source archives. Get:1 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main gromacs 2020.6-2 (dsc) [2948 B] Get:2 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main gromacs 2020.6-2 (tar) [48.5 MB] Get:3 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main gromacs 2020.6-2 (tar) [29.2 MB] Get:4 http://snapshot.notset.fr/archive/debian/20210814T212851Z bookworm/main gromacs 2020.6-2 (diff) [38.3 kB] Fetched 77.8 MB in 1min 4s (1214 kB/s) Download complete and in download only mode W: Download is performed unsandboxed as root as file 'gromacs_2020.6-2.dsc' couldn't be accessed by user '_apt'. - pkgAcquire::Run (13: Permission denied) dpkg-source: info: extracting gromacs in /build/gromacs-lj8Hdg/gromacs-2020.6 dpkg-source: info: unpacking gromacs_2020.6.orig.tar.gz dpkg-source: info: unpacking gromacs_2020.6.orig-regressiontests.tar.gz dpkg-source: info: unpacking gromacs_2020.6-2.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying disable-listed-forces-test.patch dpkg-source: info: applying arm64-disable-numa-test.patch dpkg-source: info: applying readme.patch dpkg-source: info: applying copyright-file.patch dpkg-source: info: applying disable-cpuinfotest.patch dpkg-source: info: applying mdrun-test-timeout.patch dpkg-source: info: applying local-mathjax.patch dpkg-source: info: applying mpi-tests-localhost.patch I: running --customize-hook in shell: sh -c 'chroot "$1" env --unset=TMPDIR runuser builduser -c "cd /build/gromacs-lj8Hdg/gromacs-2020.6 && env DEB_BUILD_OPTIONS="parallel=4" LANG="C.UTF-8" LC_ALL="C.UTF-8" SOURCE_DATE_EPOCH="1616993103" dpkg-buildpackage -uc -a amd64 --build=all"' exec /tmp/mmdebstrap.TPuubBgHsZ dpkg-buildpackage: info: source package gromacs dpkg-buildpackage: info: source version 2020.6-2 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Nicholas Breen dpkg-source --before-build . debian/rules clean dh_testdir dh_testroot rm -rf build docs/doxygen/*.pyc dh_clean build-basic build-mpich build-openmpi build-manual configure-stamp \ debian/gromacs-mpich.README.Debian debian/gromacs-openmpi.README.Debian debian/rules binary-indep dh_testdir (mkdir -p build/basic; cd build/basic; cmake /build/gromacs-lj8Hdg/gromacs-2020.6 -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_RULE_MESSAGES=OFF -DCMAKE_INSTALL_PREFIX="/usr" -DCMAKE_EXE_LINKER_FLAGS="-Wl,-z,relro -Wl,-z,now" -DCMAKE_SKIP_RPATH=ON -DGMX_EXTERNAL_ZLIB=ON -DGMX_VERSION_STRING_OF_FORK="Debian-2020.6-2" -DGMX_GIT_VERSION_INFO=OFF -DGMX_SIMD=SSE4.1 -DGMX_MPI=OFF -DGMX_X11=ON -DBUILD_SHARED_LIBS=ON -DGMX_INSTALL_LEGACY_API=ON) -- The C compiler identification is GNU 10.2.1 -- The CXX compiler identification is GNU 10.2.1 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/cc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Looking for NVIDIA GPUs present in the system -- Could not detect NVIDIA GPUs -- No compatible CUDA toolkit found (v5.0+), disabling native GPU acceleration -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Performing Test CFLAGS_EXCESS_PREC -- Performing Test CFLAGS_EXCESS_PREC - Success -- Performing Test CFLAGS_COPT -- Performing Test CFLAGS_COPT - Success -- Performing Test CFLAGS_NOINLINE -- Performing Test CFLAGS_NOINLINE - Success -- Performing Test CXXFLAGS_EXCESS_PREC -- Performing Test CXXFLAGS_EXCESS_PREC - Success -- Performing Test CXXFLAGS_COPT -- Performing Test CXXFLAGS_COPT - Success -- Performing Test CXXFLAGS_NOINLINE -- Performing Test CXXFLAGS_NOINLINE - Success -- Looking for include file unistd.h -- Looking for include file unistd.h - found -- Looking for include file pwd.h -- Looking for include file pwd.h - found -- Looking for include file dirent.h -- Looking for include file dirent.h - found -- Looking for include file time.h -- Looking for include file time.h - found -- Looking for include file sys/time.h -- Looking for include file sys/time.h - found -- Looking for include file io.h -- Looking for include file io.h - not found -- Looking for include file sched.h -- Looking for include file sched.h - found -- Looking for include file xmmintrin.h -- Looking for include file xmmintrin.h - found -- Looking for gettimeofday -- Looking for gettimeofday - found -- Looking for sysconf -- Looking for sysconf - found -- Looking for nice -- Looking for nice - found -- Looking for fsync -- Looking for fsync - found -- Looking for _fileno -- Looking for _fileno - not found -- Looking for fileno -- Looking for fileno - found -- Looking for _commit -- Looking for _commit - not found -- Looking for sigaction -- Looking for sigaction - found -- Performing Test HAVE_BUILTIN_CLZ -- Performing Test HAVE_BUILTIN_CLZ - Success -- Performing Test HAVE_BUILTIN_CLZLL -- Performing Test HAVE_BUILTIN_CLZLL - Success -- Looking for clock_gettime in rt -- Looking for clock_gettime in rt - found -- Looking for feenableexcept in m -- Looking for feenableexcept in m - found -- Looking for fedisableexcept in m -- Looking for fedisableexcept in m - found -- Checking for sched.h GNU affinity API -- Performing Test sched_affinity_compile -- Performing Test sched_affinity_compile - Success -- Looking for include file mm_malloc.h -- Looking for include file mm_malloc.h - found -- Looking for include file malloc.h -- Looking for include file malloc.h - found -- Checking for _mm_malloc() -- Checking for _mm_malloc() - supported -- Looking for posix_memalign -- Looking for posix_memalign - found -- Looking for memalign -- Looking for memalign - not found -- Check if the system is big endian -- Searching 16 bit integer -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for stdint.h -- Looking for stdint.h - found -- Looking for stddef.h -- Looking for stddef.h - found -- Check size of unsigned short -- Check size of unsigned short - done -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- Looking for HWLOC -- Looking for hwloc_topology_init -- Looking for hwloc_topology_init - found -- hwloc version: -- Found HWLOC: /usr/lib/x86_64-linux-gnu/libhwloc.so (found suitable version "2.4.1", minimum required is "1.5") -- Found X11: /usr/include -- Looking for XOpenDisplay in /usr/lib/x86_64-linux-gnu/libX11.so -- Looking for XOpenDisplay in /usr/lib/x86_64-linux-gnu/libX11.so - found -- Looking for gethostbyname -- Looking for gethostbyname - found -- Looking for connect -- Looking for connect - found -- Looking for remove -- Looking for remove - found -- Looking for shmat -- Looking for shmat - found -- Looking for pthread.h -- Looking for pthread.h - found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - found -- Found Threads: TRUE -- Looking for C++ include pthread.h -- Looking for C++ include pthread.h - found -- Atomic operations found -- Performing Test PTHREAD_SETAFFINITY -- Performing Test PTHREAD_SETAFFINITY - Success -- Found ZLIB: /usr/lib/x86_64-linux-gnu/libz.so (found version "1.2.11") -- Looking for zlibVersion in /usr/lib/x86_64-linux-gnu/libz.so -- Looking for zlibVersion in /usr/lib/x86_64-linux-gnu/libz.so - found -- Checking for GCC x86 inline asm -- Checking for GCC x86 inline asm - supported -- Detected build CPU vendor - Intel -- Detected build CPU brand - Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz -- Detected build CPU family - 6 -- Detected build CPU model - 45 -- Detected build CPU stepping - 7 -- Detected build CPU features - aes apic avx clfsh cmov cx8 cx16 htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic -- Disabling RDTSCP support -- Checking for 64-bit off_t -- Checking for 64-bit off_t - present -- Checking for fseeko/ftello -- Checking for fseeko/ftello - present -- Checking for SIGUSR1 -- Checking for SIGUSR1 - found -- Checking for pipe support -- Checking for system XDR support -- Checking for system XDR support - present -- Performing Test C_msse4_1_FLAG_ACCEPTED -- Performing Test C_msse4_1_FLAG_ACCEPTED - Success -- Performing Test C_msse4_1_COMPILE_WORKS -- Performing Test C_msse4_1_COMPILE_WORKS - Success -- Performing Test CXX_msse4_1_FLAG_ACCEPTED -- Performing Test CXX_msse4_1_FLAG_ACCEPTED - Success -- Performing Test CXX_msse4_1_COMPILE_WORKS -- Performing Test CXX_msse4_1_COMPILE_WORKS - Success -- Enabling SSE4.1 SIMD instructions using CXX flags: -msse4.1 -- Performing Test _callconv___vectorcall -- Performing Test _callconv___vectorcall - Failed -- Performing Test _callconv___regcall -- Performing Test _callconv___regcall - Failed -- Performing Test _callconv_ -- Performing Test _callconv_ - Success -- pkg-config could not detect fftw3f, trying generic detection -- Looking for fftwf_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Looking for fftwf_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Looking for fftwf_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Looking for fftwf_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so - not found -- Looking for fftwf_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so - not found -- Looking for fftwf_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Using external FFT library - FFTW3 -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Looking for sgemm_ -- Looking for sgemm_ - found -- Found BLAS: /usr/lib/x86_64-linux-gnu/libblas.so -- Looking for cheev_ -- Looking for cheev_ - not found -- Looking for cheev_ -- Looking for cheev_ - found -- A library with LAPACK API found. -- Checking for dlopen -- Performing Test HAVE_DLOPEN -- Performing Test HAVE_DLOPEN - Success -- Checking for dlopen - found -- Using dynamic plugins (e.g VMD-supported file formats) -- Checking for suitable VMD version -- VMD plugins not found. Path to VMD can be set with VMDDIR. -- Using default binary suffix: "" -- Using default library suffix: "" -- Found Sphinx: /usr/bin/sphinx-build (found suitable version "3.4.3", minimum required is "1.6.1") found components: pygments -- Performing Test HAVE_NO_DEPRECATED_COPY -- Performing Test HAVE_NO_DEPRECATED_COPY - Success -- Performing Test HAS_NO_STRINGOP_TRUNCATION -- Performing Test HAS_NO_STRINGOP_TRUNCATION - Success -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION - Success -- Performing Test HAS_NO_REDUNDANT_MOVE -- Performing Test HAS_NO_REDUNDANT_MOVE - Success -- Performing Test HAS_NO_UNUSED -- Performing Test HAS_NO_UNUSED - Success -- Performing Test HAS_NO_UNUSED_PARAMETER -- Performing Test HAS_NO_UNUSED_PARAMETER - Success -- Performing Test HAS_NO_MISSING_DECLARATIONS -- Performing Test HAS_NO_MISSING_DECLARATIONS - Success -- Performing Test HAS_NO_NULL_CONVERSIONS -- Performing Test HAS_NO_NULL_CONVERSIONS - Success -- Performing Test HAS_NO_CLASS_MEMACCESS -- Performing Test HAS_NO_CLASS_MEMACCESS - Success -- Check if the system is big endian -- Searching 16 bit integer -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- Looking for inttypes.h -- Looking for inttypes.h - found -- Found Doxygen: /usr/bin/doxygen (found version "1.9.1") found components: doxygen dot -- Configuring done -- Generating done -- Build files have been written to: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic (mkdir -p build/basic-dp; cd build/basic-dp; cmake /build/gromacs-lj8Hdg/gromacs-2020.6 -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_RULE_MESSAGES=OFF -DCMAKE_INSTALL_PREFIX="/usr" -DCMAKE_EXE_LINKER_FLAGS="-Wl,-z,relro -Wl,-z,now" -DCMAKE_SKIP_RPATH=ON -DGMX_EXTERNAL_ZLIB=ON -DGMX_VERSION_STRING_OF_FORK="Debian-2020.6-2" -DGMX_GIT_VERSION_INFO=OFF -DGMX_SIMD=SSE4.1 -DGMX_MPI=OFF -DGMX_X11=ON -DBUILD_SHARED_LIBS=ON -DGMX_DOUBLE=ON) -- The C compiler identification is GNU 10.2.1 -- The CXX compiler identification is GNU 10.2.1 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/cc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done CMake Warning at cmake/gmxManageGPU.cmake:53 (message): GPU acceleration is not available in double precision, disabled! Call Stack (most recent call first): CMakeLists.txt:217 (include) -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Performing Test CFLAGS_EXCESS_PREC -- Performing Test CFLAGS_EXCESS_PREC - Success -- Performing Test CFLAGS_COPT -- Performing Test CFLAGS_COPT - Success -- Performing Test CFLAGS_NOINLINE -- Performing Test CFLAGS_NOINLINE - Success -- Performing Test CXXFLAGS_EXCESS_PREC -- Performing Test CXXFLAGS_EXCESS_PREC - Success -- Performing Test CXXFLAGS_COPT -- Performing Test CXXFLAGS_COPT - Success -- Performing Test CXXFLAGS_NOINLINE -- Performing Test CXXFLAGS_NOINLINE - Success -- Looking for include file unistd.h -- Looking for include file unistd.h - found -- Looking for include file pwd.h -- Looking for include file pwd.h - found -- Looking for include file dirent.h -- Looking for include file dirent.h - found -- Looking for include file time.h -- Looking for include file time.h - found -- Looking for include file sys/time.h -- Looking for include file sys/time.h - found -- Looking for include file io.h -- Looking for include file io.h - not found -- Looking for include file sched.h -- Looking for include file sched.h - found -- Looking for include file xmmintrin.h -- Looking for include file xmmintrin.h - found -- Looking for gettimeofday -- Looking for gettimeofday - found -- Looking for sysconf -- Looking for sysconf - found -- Looking for nice -- Looking for nice - found -- Looking for fsync -- Looking for fsync - found -- Looking for _fileno -- Looking for _fileno - not found -- Looking for fileno -- Looking for fileno - found -- Looking for _commit -- Looking for _commit - not found -- Looking for sigaction -- Looking for sigaction - found -- Performing Test HAVE_BUILTIN_CLZ -- Performing Test HAVE_BUILTIN_CLZ - Success -- Performing Test HAVE_BUILTIN_CLZLL -- Performing Test HAVE_BUILTIN_CLZLL - Success -- Looking for clock_gettime in rt -- Looking for clock_gettime in rt - found -- Looking for feenableexcept in m -- Looking for feenableexcept in m - found -- Looking for fedisableexcept in m -- Looking for fedisableexcept in m - found -- Checking for sched.h GNU affinity API -- Performing Test sched_affinity_compile -- Performing Test sched_affinity_compile - Success -- Looking for include file mm_malloc.h -- Looking for include file mm_malloc.h - found -- Looking for include file malloc.h -- Looking for include file malloc.h - found -- Checking for _mm_malloc() -- Checking for _mm_malloc() - supported -- Looking for posix_memalign -- Looking for posix_memalign - found -- Looking for memalign -- Looking for memalign - not found -- Check if the system is big endian -- Searching 16 bit integer -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for stdint.h -- Looking for stdint.h - found -- Looking for stddef.h -- Looking for stddef.h - found -- Check size of unsigned short -- Check size of unsigned short - done -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- Looking for HWLOC -- Looking for hwloc_topology_init -- Looking for hwloc_topology_init - found -- hwloc version: -- Found HWLOC: /usr/lib/x86_64-linux-gnu/libhwloc.so (found suitable version "2.4.1", minimum required is "1.5") -- Found X11: /usr/include -- Looking for XOpenDisplay in /usr/lib/x86_64-linux-gnu/libX11.so -- Looking for XOpenDisplay in /usr/lib/x86_64-linux-gnu/libX11.so - found -- Looking for gethostbyname -- Looking for gethostbyname - found -- Looking for connect -- Looking for connect - found -- Looking for remove -- Looking for remove - found -- Looking for shmat -- Looking for shmat - found -- Looking for pthread.h -- Looking for pthread.h - found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - found -- Found Threads: TRUE -- Looking for C++ include pthread.h -- Looking for C++ include pthread.h - found -- Atomic operations found -- Performing Test PTHREAD_SETAFFINITY -- Performing Test PTHREAD_SETAFFINITY - Success -- Found ZLIB: /usr/lib/x86_64-linux-gnu/libz.so (found version "1.2.11") -- Looking for zlibVersion in /usr/lib/x86_64-linux-gnu/libz.so -- Looking for zlibVersion in /usr/lib/x86_64-linux-gnu/libz.so - found -- Checking for GCC x86 inline asm -- Checking for GCC x86 inline asm - supported -- Detected build CPU vendor - Intel -- Detected build CPU brand - Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz -- Detected build CPU family - 6 -- Detected build CPU model - 45 -- Detected build CPU stepping - 7 -- Detected build CPU features - aes apic avx clfsh cmov cx8 cx16 htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic -- Disabling RDTSCP support -- Checking for 64-bit off_t -- Checking for 64-bit off_t - present -- Checking for fseeko/ftello -- Checking for fseeko/ftello - present -- Checking for SIGUSR1 -- Checking for SIGUSR1 - found -- Checking for pipe support -- Checking for system XDR support -- Checking for system XDR support - present -- Performing Test C_msse4_1_FLAG_ACCEPTED -- Performing Test C_msse4_1_FLAG_ACCEPTED - Success -- Performing Test C_msse4_1_COMPILE_WORKS -- Performing Test C_msse4_1_COMPILE_WORKS - Success -- Performing Test CXX_msse4_1_FLAG_ACCEPTED -- Performing Test CXX_msse4_1_FLAG_ACCEPTED - Success -- Performing Test CXX_msse4_1_COMPILE_WORKS -- Performing Test CXX_msse4_1_COMPILE_WORKS - Success -- Enabling SSE4.1 SIMD instructions using CXX flags: -msse4.1 -- Performing Test _callconv___vectorcall -- Performing Test _callconv___vectorcall - Failed -- Performing Test _callconv___regcall -- Performing Test _callconv___regcall - Failed -- Performing Test _callconv_ -- Performing Test _callconv_ - Success -- pkg-config could not detect fftw3, trying generic detection -- Looking for fftw_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3.so - found -- Looking for fftw_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3.so - found -- Looking for fftw_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3.so - found -- Looking for fftw_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3.so - not found -- Looking for fftw_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3.so - not found -- Looking for fftw_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3.so - found -- Using external FFT library - FFTW3 -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Looking for sgemm_ -- Looking for sgemm_ - found -- Found BLAS: /usr/lib/x86_64-linux-gnu/libblas.so -- Looking for cheev_ -- Looking for cheev_ - not found -- Looking for cheev_ -- Looking for cheev_ - found -- A library with LAPACK API found. -- Checking for dlopen -- Performing Test HAVE_DLOPEN -- Performing Test HAVE_DLOPEN - Success -- Checking for dlopen - found -- Using dynamic plugins (e.g VMD-supported file formats) -- Checking for suitable VMD version -- VMD plugins not found. Path to VMD can be set with VMDDIR. -- Using default binary suffix: "_d" -- Using default library suffix: "_d" -- Found Sphinx: /usr/bin/sphinx-build (found suitable version "3.4.3", minimum required is "1.6.1") found components: pygments -- Performing Test HAVE_NO_DEPRECATED_COPY -- Performing Test HAVE_NO_DEPRECATED_COPY - Success -- Performing Test HAS_NO_STRINGOP_TRUNCATION -- Performing Test HAS_NO_STRINGOP_TRUNCATION - Success -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION - Success -- Performing Test HAS_NO_REDUNDANT_MOVE -- Performing Test HAS_NO_REDUNDANT_MOVE - Success -- Performing Test HAS_NO_UNUSED -- Performing Test HAS_NO_UNUSED - Success -- Performing Test HAS_NO_UNUSED_PARAMETER -- Performing Test HAS_NO_UNUSED_PARAMETER - Success -- Performing Test HAS_NO_MISSING_DECLARATIONS -- Performing Test HAS_NO_MISSING_DECLARATIONS - Success -- Performing Test HAS_NO_NULL_CONVERSIONS -- Performing Test HAS_NO_NULL_CONVERSIONS - Success -- Performing Test HAS_NO_CLASS_MEMACCESS -- Performing Test HAS_NO_CLASS_MEMACCESS - Success -- Check if the system is big endian -- Searching 16 bit integer -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- Looking for inttypes.h -- Looking for inttypes.h - found -- Found Doxygen: /usr/bin/doxygen (found version "1.9.1") found components: doxygen dot -- Configuring done -- Generating done -- Build files have been written to: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp (mkdir -p build/mpich; cd build/mpich; CC=/usr/bin/mpicc.mpich CXX=/usr/bin/mpicxx.mpich cmake \ /build/gromacs-lj8Hdg/gromacs-2020.6 -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_RULE_MESSAGES=OFF -DCMAKE_INSTALL_PREFIX="/usr" -DCMAKE_EXE_LINKER_FLAGS="-Wl,-z,relro -Wl,-z,now" -DCMAKE_SKIP_RPATH=ON -DGMX_EXTERNAL_ZLIB=ON -DGMX_VERSION_STRING_OF_FORK="Debian-2020.6-2" -DGMX_GIT_VERSION_INFO=OFF -DGMX_SIMD=SSE4.1 -DGMX_MPI=ON -DGMX_X11=OFF -DGMX_DEFAULT_SUFFIX=OFF -DMPIEXEC="/usr/bin/mpiexec.mpich" -DGMX_BUILD_MDRUN_ONLY=ON -DGMX_BINARY_SUFFIX="_mpi.mpich" -DGMX_LIBS_SUFFIX="_mpi.mpich") -- The C compiler identification is GNU 10.2.1 -- The CXX compiler identification is GNU 10.2.1 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/mpicc.mpich - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/mpicxx.mpich - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Looking for NVIDIA GPUs present in the system -- Could not detect NVIDIA GPUs -- No compatible CUDA toolkit found (v5.0+), disabling native GPU acceleration -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Performing Test CFLAGS_EXCESS_PREC -- Performing Test CFLAGS_EXCESS_PREC - Success -- Performing Test CFLAGS_COPT -- Performing Test CFLAGS_COPT - Success -- Performing Test CFLAGS_NOINLINE -- Performing Test CFLAGS_NOINLINE - Success -- Performing Test CXXFLAGS_EXCESS_PREC -- Performing Test CXXFLAGS_EXCESS_PREC - Success -- Performing Test CXXFLAGS_COPT -- Performing Test CXXFLAGS_COPT - Success -- Performing Test CXXFLAGS_NOINLINE -- Performing Test CXXFLAGS_NOINLINE - Success -- Looking for include file unistd.h -- Looking for include file unistd.h - found -- Looking for include file pwd.h -- Looking for include file pwd.h - found -- Looking for include file dirent.h -- Looking for include file dirent.h - found -- Looking for include file time.h -- Looking for include file time.h - found -- Looking for include file sys/time.h -- Looking for include file sys/time.h - found -- Looking for include file io.h -- Looking for include file io.h - not found -- Looking for include file sched.h -- Looking for include file sched.h - found -- Looking for include file xmmintrin.h -- Looking for include file xmmintrin.h - found -- Looking for gettimeofday -- Looking for gettimeofday - found -- Looking for sysconf -- Looking for sysconf - found -- Looking for nice -- Looking for nice - found -- Looking for fsync -- Looking for fsync - found -- Looking for _fileno -- Looking for _fileno - not found -- Looking for fileno -- Looking for fileno - found -- Looking for _commit -- Looking for _commit - not found -- Looking for sigaction -- Looking for sigaction - found -- Performing Test HAVE_BUILTIN_CLZ -- Performing Test HAVE_BUILTIN_CLZ - Success -- Performing Test HAVE_BUILTIN_CLZLL -- Performing Test HAVE_BUILTIN_CLZLL - Success -- Looking for clock_gettime in rt -- Looking for clock_gettime in rt - found -- Looking for feenableexcept in m -- Looking for feenableexcept in m - found -- Looking for fedisableexcept in m -- Looking for fedisableexcept in m - found -- Checking for sched.h GNU affinity API -- Performing Test sched_affinity_compile -- Performing Test sched_affinity_compile - Success -- Looking for include file mm_malloc.h -- Looking for include file mm_malloc.h - found -- Looking for include file malloc.h -- Looking for include file malloc.h - found -- Checking for _mm_malloc() -- Checking for _mm_malloc() - supported -- Looking for posix_memalign -- Looking for posix_memalign - found -- Looking for memalign -- Looking for memalign - not found -- Check if the system is big endian -- Searching 16 bit integer -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for stdint.h -- Looking for stdint.h - found -- Looking for stddef.h -- Looking for stddef.h - found -- Check size of unsigned short -- Check size of unsigned short - done -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- MPI is not compatible with thread-MPI. Disabling thread-MPI. -- Checking for MPI_IN_PLACE -- Performing Test MPI_IN_PLACE_COMPILE_OK -- Performing Test MPI_IN_PLACE_COMPILE_OK - Success -- Checking for MPI_IN_PLACE - yes -- Defaulting to building static libraries -- Looking for HWLOC -- Looking for hwloc_topology_init -- Looking for hwloc_topology_init - found -- hwloc version: -- Found HWLOC: /usr/lib/x86_64-linux-gnu/libhwloc.so (found suitable version "2.4.1", minimum required is "1.5") -- Looking for pthread.h -- Looking for pthread.h - found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - found -- Found Threads: TRUE -- Looking for C++ include pthread.h -- Looking for C++ include pthread.h - found -- Atomic operations found -- Performing Test PTHREAD_SETAFFINITY -- Performing Test PTHREAD_SETAFFINITY - Success -- Found ZLIB: /usr/lib/x86_64-linux-gnu/libz.so (found version "1.2.11") -- Looking for zlibVersion in /usr/lib/x86_64-linux-gnu/libz.so -- Looking for zlibVersion in /usr/lib/x86_64-linux-gnu/libz.so - found -- Checking for GCC x86 inline asm -- Checking for GCC x86 inline asm - supported -- Detected build CPU vendor - Intel -- Detected build CPU brand - Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz -- Detected build CPU family - 6 -- Detected build CPU model - 45 -- Detected build CPU stepping - 7 -- Detected build CPU features - aes apic avx clfsh cmov cx8 cx16 htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic -- Disabling RDTSCP support -- Checking for 64-bit off_t -- Checking for 64-bit off_t - present -- Checking for fseeko/ftello -- Checking for fseeko/ftello - present -- Checking for SIGUSR1 -- Checking for SIGUSR1 - found -- Checking for pipe support -- Checking for system XDR support -- Checking for system XDR support - present -- Performing Test C_msse4_1_FLAG_ACCEPTED -- Performing Test C_msse4_1_FLAG_ACCEPTED - Success -- Performing Test C_msse4_1_COMPILE_WORKS -- Performing Test C_msse4_1_COMPILE_WORKS - Success -- Performing Test CXX_msse4_1_FLAG_ACCEPTED -- Performing Test CXX_msse4_1_FLAG_ACCEPTED - Success -- Performing Test CXX_msse4_1_COMPILE_WORKS -- Performing Test CXX_msse4_1_COMPILE_WORKS - Success -- Enabling SSE4.1 SIMD instructions using CXX flags: -msse4.1 -- Performing Test _callconv___vectorcall -- Performing Test _callconv___vectorcall - Failed -- Performing Test _callconv___regcall -- Performing Test _callconv___regcall - Failed -- Performing Test _callconv_ -- Performing Test _callconv_ - Success -- pkg-config could not detect fftw3f, trying generic detection -- Looking for fftwf_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Looking for fftwf_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Looking for fftwf_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Looking for fftwf_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so - not found -- Looking for fftwf_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so - not found -- Looking for fftwf_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Using external FFT library - FFTW3 -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Looking for sgemm_ -- Looking for sgemm_ - found -- Found BLAS: /usr/lib/x86_64-linux-gnu/libblas.so -- Looking for cheev_ -- Looking for cheev_ - not found -- Looking for cheev_ -- Looking for cheev_ - found -- A library with LAPACK API found. -- Checking for dlopen -- Performing Test HAVE_DLOPEN -- Performing Test HAVE_DLOPEN - Success -- Checking for dlopen - found -- GROMACS only supports plugins in a build that uses shared libraries, which can be disabled for various reasons. BUILD_SHARED_LIBS=on and a toolchain that supports dynamic linking is required. (Hint: GMX_PREFER_STATIC_LIBS and GMX_BUILD_MDRUN_ONLY can influence the default BUILD_SHARED_LIBS, so if you need plugins, reconsider those choices.) -- Not using dynamic plugins (e.g VMD-supported file formats) -- Using manually set binary suffix: "_mpi.mpich" -- Using manually set library suffix: "_mpi.mpich" -- Performing Test HAVE_NO_DEPRECATED_COPY -- Performing Test HAVE_NO_DEPRECATED_COPY - Success -- Performing Test HAS_NO_STRINGOP_TRUNCATION -- Performing Test HAS_NO_STRINGOP_TRUNCATION - Success -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION - Success -- Performing Test HAS_NO_REDUNDANT_MOVE -- Performing Test HAS_NO_REDUNDANT_MOVE - Success -- Performing Test HAS_NO_UNUSED -- Performing Test HAS_NO_UNUSED - Success -- Performing Test HAS_NO_UNUSED_PARAMETER -- Performing Test HAS_NO_UNUSED_PARAMETER - Success -- Performing Test HAS_NO_MISSING_DECLARATIONS -- Performing Test HAS_NO_MISSING_DECLARATIONS - Success -- Performing Test HAS_NO_NULL_CONVERSIONS -- Performing Test HAS_NO_NULL_CONVERSIONS - Success -- Performing Test HAS_NO_CLASS_MEMACCESS -- Performing Test HAS_NO_CLASS_MEMACCESS - Success -- Check if the system is big endian -- Searching 16 bit integer -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- Looking for inttypes.h -- Looking for inttypes.h - found -- Configuring done -- Generating done -- Build files have been written to: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich (mkdir -p build/mpich-dp; cd build/mpich-dp; CC=/usr/bin/mpicc.mpich CXX=/usr/bin/mpicxx.mpich cmake \ /build/gromacs-lj8Hdg/gromacs-2020.6 -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_RULE_MESSAGES=OFF -DCMAKE_INSTALL_PREFIX="/usr" -DCMAKE_EXE_LINKER_FLAGS="-Wl,-z,relro -Wl,-z,now" -DCMAKE_SKIP_RPATH=ON -DGMX_EXTERNAL_ZLIB=ON -DGMX_VERSION_STRING_OF_FORK="Debian-2020.6-2" -DGMX_GIT_VERSION_INFO=OFF -DGMX_SIMD=SSE4.1 -DGMX_MPI=ON -DGMX_X11=OFF -DGMX_DEFAULT_SUFFIX=OFF -DMPIEXEC="/usr/bin/mpiexec.mpich" -DGMX_BUILD_MDRUN_ONLY=ON -DGMX_DOUBLE=ON -DGMX_BINARY_SUFFIX="_mpi_d.mpich" -DGMX_LIBS_SUFFIX="_mpi_d.mpich") -- The C compiler identification is GNU 10.2.1 -- The CXX compiler identification is GNU 10.2.1 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/mpicc.mpich - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/mpicxx.mpich - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done CMake Warning at cmake/gmxManageGPU.cmake:53 (message): GPU acceleration is not available in double precision, disabled! Call Stack (most recent call first): CMakeLists.txt:217 (include) -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Performing Test CFLAGS_EXCESS_PREC -- Performing Test CFLAGS_EXCESS_PREC - Success -- Performing Test CFLAGS_COPT -- Performing Test CFLAGS_COPT - Success -- Performing Test CFLAGS_NOINLINE -- Performing Test CFLAGS_NOINLINE - Success -- Performing Test CXXFLAGS_EXCESS_PREC -- Performing Test CXXFLAGS_EXCESS_PREC - Success -- Performing Test CXXFLAGS_COPT -- Performing Test CXXFLAGS_COPT - Success -- Performing Test CXXFLAGS_NOINLINE -- Performing Test CXXFLAGS_NOINLINE - Success -- Looking for include file unistd.h -- Looking for include file unistd.h - found -- Looking for include file pwd.h -- Looking for include file pwd.h - found -- Looking for include file dirent.h -- Looking for include file dirent.h - found -- Looking for include file time.h -- Looking for include file time.h - found -- Looking for include file sys/time.h -- Looking for include file sys/time.h - found -- Looking for include file io.h -- Looking for include file io.h - not found -- Looking for include file sched.h -- Looking for include file sched.h - found -- Looking for include file xmmintrin.h -- Looking for include file xmmintrin.h - found -- Looking for gettimeofday -- Looking for gettimeofday - found -- Looking for sysconf -- Looking for sysconf - found -- Looking for nice -- Looking for nice - found -- Looking for fsync -- Looking for fsync - found -- Looking for _fileno -- Looking for _fileno - not found -- Looking for fileno -- Looking for fileno - found -- Looking for _commit -- Looking for _commit - not found -- Looking for sigaction -- Looking for sigaction - found -- Performing Test HAVE_BUILTIN_CLZ -- Performing Test HAVE_BUILTIN_CLZ - Success -- Performing Test HAVE_BUILTIN_CLZLL -- Performing Test HAVE_BUILTIN_CLZLL - Success -- Looking for clock_gettime in rt -- Looking for clock_gettime in rt - found -- Looking for feenableexcept in m -- Looking for feenableexcept in m - found -- Looking for fedisableexcept in m -- Looking for fedisableexcept in m - found -- Checking for sched.h GNU affinity API -- Performing Test sched_affinity_compile -- Performing Test sched_affinity_compile - Success -- Looking for include file mm_malloc.h -- Looking for include file mm_malloc.h - found -- Looking for include file malloc.h -- Looking for include file malloc.h - found -- Checking for _mm_malloc() -- Checking for _mm_malloc() - supported -- Looking for posix_memalign -- Looking for posix_memalign - found -- Looking for memalign -- Looking for memalign - not found -- Check if the system is big endian -- Searching 16 bit integer -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for stdint.h -- Looking for stdint.h - found -- Looking for stddef.h -- Looking for stddef.h - found -- Check size of unsigned short -- Check size of unsigned short - done -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- MPI is not compatible with thread-MPI. Disabling thread-MPI. -- Checking for MPI_IN_PLACE -- Performing Test MPI_IN_PLACE_COMPILE_OK -- Performing Test MPI_IN_PLACE_COMPILE_OK - Success -- Checking for MPI_IN_PLACE - yes -- Defaulting to building static libraries -- Looking for HWLOC -- Looking for hwloc_topology_init -- Looking for hwloc_topology_init - found -- hwloc version: -- Found HWLOC: /usr/lib/x86_64-linux-gnu/libhwloc.so (found suitable version "2.4.1", minimum required is "1.5") -- Looking for pthread.h -- Looking for pthread.h - found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - found -- Found Threads: TRUE -- Looking for C++ include pthread.h -- Looking for C++ include pthread.h - found -- Atomic operations found -- Performing Test PTHREAD_SETAFFINITY -- Performing Test PTHREAD_SETAFFINITY - Success -- Found ZLIB: /usr/lib/x86_64-linux-gnu/libz.so (found version "1.2.11") -- Looking for zlibVersion in /usr/lib/x86_64-linux-gnu/libz.so -- Looking for zlibVersion in /usr/lib/x86_64-linux-gnu/libz.so - found -- Checking for GCC x86 inline asm -- Checking for GCC x86 inline asm - supported -- Detected build CPU vendor - Intel -- Detected build CPU brand - Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz -- Detected build CPU family - 6 -- Detected build CPU model - 45 -- Detected build CPU stepping - 7 -- Detected build CPU features - aes apic avx clfsh cmov cx8 cx16 htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic -- Disabling RDTSCP support -- Checking for 64-bit off_t -- Checking for 64-bit off_t - present -- Checking for fseeko/ftello -- Checking for fseeko/ftello - present -- Checking for SIGUSR1 -- Checking for SIGUSR1 - found -- Checking for pipe support -- Checking for system XDR support -- Checking for system XDR support - present -- Performing Test C_msse4_1_FLAG_ACCEPTED -- Performing Test C_msse4_1_FLAG_ACCEPTED - Success -- Performing Test C_msse4_1_COMPILE_WORKS -- Performing Test C_msse4_1_COMPILE_WORKS - Success -- Performing Test CXX_msse4_1_FLAG_ACCEPTED -- Performing Test CXX_msse4_1_FLAG_ACCEPTED - Success -- Performing Test CXX_msse4_1_COMPILE_WORKS -- Performing Test CXX_msse4_1_COMPILE_WORKS - Success -- Enabling SSE4.1 SIMD instructions using CXX flags: -msse4.1 -- Performing Test _callconv___vectorcall -- Performing Test _callconv___vectorcall - Failed -- Performing Test _callconv___regcall -- Performing Test _callconv___regcall - Failed -- Performing Test _callconv_ -- Performing Test _callconv_ - Success -- pkg-config could not detect fftw3, trying generic detection -- Looking for fftw_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3.so - found -- Looking for fftw_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3.so - found -- Looking for fftw_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3.so - found -- Looking for fftw_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3.so - not found -- Looking for fftw_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3.so - not found -- Looking for fftw_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3.so - found -- Using external FFT library - FFTW3 -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Looking for sgemm_ -- Looking for sgemm_ - found -- Found BLAS: /usr/lib/x86_64-linux-gnu/libblas.so -- Looking for cheev_ -- Looking for cheev_ - not found -- Looking for cheev_ -- Looking for cheev_ - found -- A library with LAPACK API found. -- Checking for dlopen -- Performing Test HAVE_DLOPEN -- Performing Test HAVE_DLOPEN - Success -- Checking for dlopen - found -- GROMACS only supports plugins in a build that uses shared libraries, which can be disabled for various reasons. BUILD_SHARED_LIBS=on and a toolchain that supports dynamic linking is required. (Hint: GMX_PREFER_STATIC_LIBS and GMX_BUILD_MDRUN_ONLY can influence the default BUILD_SHARED_LIBS, so if you need plugins, reconsider those choices.) -- Not using dynamic plugins (e.g VMD-supported file formats) -- Using manually set binary suffix: "_mpi_d.mpich" -- Using manually set library suffix: "_mpi_d.mpich" -- Performing Test HAVE_NO_DEPRECATED_COPY -- Performing Test HAVE_NO_DEPRECATED_COPY - Success -- Performing Test HAS_NO_STRINGOP_TRUNCATION -- Performing Test HAS_NO_STRINGOP_TRUNCATION - Success -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION - Success -- Performing Test HAS_NO_REDUNDANT_MOVE -- Performing Test HAS_NO_REDUNDANT_MOVE - Success -- Performing Test HAS_NO_UNUSED -- Performing Test HAS_NO_UNUSED - Success -- Performing Test HAS_NO_UNUSED_PARAMETER -- Performing Test HAS_NO_UNUSED_PARAMETER - Success -- Performing Test HAS_NO_MISSING_DECLARATIONS -- Performing Test HAS_NO_MISSING_DECLARATIONS - Success -- Performing Test HAS_NO_NULL_CONVERSIONS -- Performing Test HAS_NO_NULL_CONVERSIONS - Success -- Performing Test HAS_NO_CLASS_MEMACCESS -- Performing Test HAS_NO_CLASS_MEMACCESS - Success -- Check if the system is big endian -- Searching 16 bit integer -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- Looking for inttypes.h -- Looking for inttypes.h - found -- Configuring done -- Generating done -- Build files have been written to: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp (mkdir -p build/openmpi; cd build/openmpi; CC=/usr/bin/mpicc.openmpi CXX=/usr/bin/mpicxx.openmpi cmake \ /build/gromacs-lj8Hdg/gromacs-2020.6 -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_RULE_MESSAGES=OFF -DCMAKE_INSTALL_PREFIX="/usr" -DCMAKE_EXE_LINKER_FLAGS="-Wl,-z,relro -Wl,-z,now" -DCMAKE_SKIP_RPATH=ON -DGMX_EXTERNAL_ZLIB=ON -DGMX_VERSION_STRING_OF_FORK="Debian-2020.6-2" -DGMX_GIT_VERSION_INFO=OFF -DGMX_SIMD=SSE4.1 -DGMX_MPI=ON -DGMX_X11=OFF -DGMX_DEFAULT_SUFFIX=OFF -DCMAKE_EXE_LINKER_FLAGS="-L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now" -DMPIEXEC="/usr/bin/mpiexec.openmpi" -DGMX_BUILD_MDRUN_ONLY=ON -DGMX_BINARY_SUFFIX="_mpi.openmpi" -DGMX_LIBS_SUFFIX="_mpi.openmpi") -- The C compiler identification is GNU 10.2.1 -- The CXX compiler identification is GNU 10.2.1 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/mpicc.openmpi - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/mpicxx.openmpi - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Looking for NVIDIA GPUs present in the system -- Could not detect NVIDIA GPUs -- No compatible CUDA toolkit found (v5.0+), disabling native GPU acceleration -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Performing Test CFLAGS_EXCESS_PREC -- Performing Test CFLAGS_EXCESS_PREC - Success -- Performing Test CFLAGS_COPT -- Performing Test CFLAGS_COPT - Success -- Performing Test CFLAGS_NOINLINE -- Performing Test CFLAGS_NOINLINE - Success -- Performing Test CXXFLAGS_EXCESS_PREC -- Performing Test CXXFLAGS_EXCESS_PREC - Success -- Performing Test CXXFLAGS_COPT -- Performing Test CXXFLAGS_COPT - Success -- Performing Test CXXFLAGS_NOINLINE -- Performing Test CXXFLAGS_NOINLINE - Success -- Looking for include file unistd.h -- Looking for include file unistd.h - found -- Looking for include file pwd.h -- Looking for include file pwd.h - found -- Looking for include file dirent.h -- Looking for include file dirent.h - found -- Looking for include file time.h -- Looking for include file time.h - found -- Looking for include file sys/time.h -- Looking for include file sys/time.h - found -- Looking for include file io.h -- Looking for include file io.h - not found -- Looking for include file sched.h -- Looking for include file sched.h - found -- Looking for include file xmmintrin.h -- Looking for include file xmmintrin.h - found -- Looking for gettimeofday -- Looking for gettimeofday - found -- Looking for sysconf -- Looking for sysconf - found -- Looking for nice -- Looking for nice - found -- Looking for fsync -- Looking for fsync - found -- Looking for _fileno -- Looking for _fileno - not found -- Looking for fileno -- Looking for fileno - found -- Looking for _commit -- Looking for _commit - not found -- Looking for sigaction -- Looking for sigaction - found -- Performing Test HAVE_BUILTIN_CLZ -- Performing Test HAVE_BUILTIN_CLZ - Success -- Performing Test HAVE_BUILTIN_CLZLL -- Performing Test HAVE_BUILTIN_CLZLL - Success -- Looking for clock_gettime in rt -- Looking for clock_gettime in rt - found -- Looking for feenableexcept in m -- Looking for feenableexcept in m - found -- Looking for fedisableexcept in m -- Looking for fedisableexcept in m - found -- Checking for sched.h GNU affinity API -- Performing Test sched_affinity_compile -- Performing Test sched_affinity_compile - Success -- Looking for include file mm_malloc.h -- Looking for include file mm_malloc.h - found -- Looking for include file malloc.h -- Looking for include file malloc.h - found -- Checking for _mm_malloc() -- Checking for _mm_malloc() - supported -- Looking for posix_memalign -- Looking for posix_memalign - found -- Looking for memalign -- Looking for memalign - not found -- Check if the system is big endian -- Searching 16 bit integer -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for stdint.h -- Looking for stdint.h - found -- Looking for stddef.h -- Looking for stddef.h - found -- Check size of unsigned short -- Check size of unsigned short - done -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- MPI is not compatible with thread-MPI. Disabling thread-MPI. -- Checking for MPI_IN_PLACE -- Performing Test MPI_IN_PLACE_COMPILE_OK -- Performing Test MPI_IN_PLACE_COMPILE_OK - Success -- Checking for MPI_IN_PLACE - yes -- Defaulting to building static libraries -- Looking for HWLOC -- Looking for hwloc_topology_init -- Looking for hwloc_topology_init - found -- hwloc version: -- Found HWLOC: /usr/lib/x86_64-linux-gnu/libhwloc.so (found suitable version "2.4.1", minimum required is "1.5") -- Looking for pthread.h -- Looking for pthread.h - found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE -- Looking for C++ include pthread.h -- Looking for C++ include pthread.h - found -- Atomic operations found -- Performing Test PTHREAD_SETAFFINITY -- Performing Test PTHREAD_SETAFFINITY - Success -- Found ZLIB: /usr/lib/x86_64-linux-gnu/libz.so (found version "1.2.11") -- Looking for zlibVersion in /usr/lib/x86_64-linux-gnu/libz.so -- Looking for zlibVersion in /usr/lib/x86_64-linux-gnu/libz.so - found -- Checking for GCC x86 inline asm -- Checking for GCC x86 inline asm - supported -- Detected build CPU vendor - Intel -- Detected build CPU brand - Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz -- Detected build CPU family - 6 -- Detected build CPU model - 45 -- Detected build CPU stepping - 7 -- Detected build CPU features - aes apic avx clfsh cmov cx8 cx16 htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic -- Disabling RDTSCP support -- Checking for 64-bit off_t -- Checking for 64-bit off_t - present -- Checking for fseeko/ftello -- Checking for fseeko/ftello - present -- Checking for SIGUSR1 -- Checking for SIGUSR1 - found -- Checking for pipe support -- Checking for system XDR support -- Checking for system XDR support - present -- Performing Test C_msse4_1_FLAG_ACCEPTED -- Performing Test C_msse4_1_FLAG_ACCEPTED - Success -- Performing Test C_msse4_1_COMPILE_WORKS -- Performing Test C_msse4_1_COMPILE_WORKS - Success -- Performing Test CXX_msse4_1_FLAG_ACCEPTED -- Performing Test CXX_msse4_1_FLAG_ACCEPTED - Success -- Performing Test CXX_msse4_1_COMPILE_WORKS -- Performing Test CXX_msse4_1_COMPILE_WORKS - Success -- Enabling SSE4.1 SIMD instructions using CXX flags: -msse4.1 -- Performing Test _callconv___vectorcall -- Performing Test _callconv___vectorcall - Failed -- Performing Test _callconv___regcall -- Performing Test _callconv___regcall - Failed -- Performing Test _callconv_ -- Performing Test _callconv_ - Success -- pkg-config could not detect fftw3f, trying generic detection -- Looking for fftwf_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Looking for fftwf_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Looking for fftwf_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Looking for fftwf_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so - not found -- Looking for fftwf_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so - not found -- Looking for fftwf_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Using external FFT library - FFTW3 -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Looking for sgemm_ -- Looking for sgemm_ - found -- Found BLAS: /usr/lib/x86_64-linux-gnu/libblas.so -- Looking for cheev_ -- Looking for cheev_ - not found -- Looking for cheev_ -- Looking for cheev_ - found -- A library with LAPACK API found. -- Checking for dlopen -- Performing Test HAVE_DLOPEN -- Performing Test HAVE_DLOPEN - Success -- Checking for dlopen - found -- GROMACS only supports plugins in a build that uses shared libraries, which can be disabled for various reasons. BUILD_SHARED_LIBS=on and a toolchain that supports dynamic linking is required. (Hint: GMX_PREFER_STATIC_LIBS and GMX_BUILD_MDRUN_ONLY can influence the default BUILD_SHARED_LIBS, so if you need plugins, reconsider those choices.) -- Not using dynamic plugins (e.g VMD-supported file formats) -- Using manually set binary suffix: "_mpi.openmpi" -- Using manually set library suffix: "_mpi.openmpi" -- Performing Test HAVE_NO_DEPRECATED_COPY -- Performing Test HAVE_NO_DEPRECATED_COPY - Success -- Performing Test HAS_NO_STRINGOP_TRUNCATION -- Performing Test HAS_NO_STRINGOP_TRUNCATION - Success -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION - Success -- Performing Test HAS_NO_REDUNDANT_MOVE -- Performing Test HAS_NO_REDUNDANT_MOVE - Success -- Performing Test HAS_NO_UNUSED -- Performing Test HAS_NO_UNUSED - Success -- Performing Test HAS_NO_UNUSED_PARAMETER -- Performing Test HAS_NO_UNUSED_PARAMETER - Success -- Performing Test HAS_NO_MISSING_DECLARATIONS -- Performing Test HAS_NO_MISSING_DECLARATIONS - Success -- Performing Test HAS_NO_NULL_CONVERSIONS -- Performing Test HAS_NO_NULL_CONVERSIONS - Success -- Performing Test HAS_NO_CLASS_MEMACCESS -- Performing Test HAS_NO_CLASS_MEMACCESS - Success -- Check if the system is big endian -- Searching 16 bit integer -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- Looking for inttypes.h -- Looking for inttypes.h - found -- Configuring done -- Generating done -- Build files have been written to: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi (mkdir -p build/openmpi-dp; cd build/openmpi-dp; CC=/usr/bin/mpicc.openmpi CXX=/usr/bin/mpicxx.openmpi cmake \ /build/gromacs-lj8Hdg/gromacs-2020.6 -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_RULE_MESSAGES=OFF -DCMAKE_INSTALL_PREFIX="/usr" -DCMAKE_EXE_LINKER_FLAGS="-Wl,-z,relro -Wl,-z,now" -DCMAKE_SKIP_RPATH=ON -DGMX_EXTERNAL_ZLIB=ON -DGMX_VERSION_STRING_OF_FORK="Debian-2020.6-2" -DGMX_GIT_VERSION_INFO=OFF -DGMX_SIMD=SSE4.1 -DGMX_MPI=ON -DGMX_X11=OFF -DGMX_DEFAULT_SUFFIX=OFF -DCMAKE_EXE_LINKER_FLAGS="-L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now" -DMPIEXEC="/usr/bin/mpiexec.openmpi" -DGMX_BUILD_MDRUN_ONLY=ON -DGMX_DOUBLE=ON -DGMX_BINARY_SUFFIX="_mpi_d.openmpi" -DGMX_LIBS_SUFFIX="_mpi_d.openmpi") -- The C compiler identification is GNU 10.2.1 -- The CXX compiler identification is GNU 10.2.1 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/mpicc.openmpi - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/mpicxx.openmpi - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done CMake Warning at cmake/gmxManageGPU.cmake:53 (message): GPU acceleration is not available in double precision, disabled! Call Stack (most recent call first): CMakeLists.txt:217 (include) -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Performing Test CFLAGS_EXCESS_PREC -- Performing Test CFLAGS_EXCESS_PREC - Success -- Performing Test CFLAGS_COPT -- Performing Test CFLAGS_COPT - Success -- Performing Test CFLAGS_NOINLINE -- Performing Test CFLAGS_NOINLINE - Success -- Performing Test CXXFLAGS_EXCESS_PREC -- Performing Test CXXFLAGS_EXCESS_PREC - Success -- Performing Test CXXFLAGS_COPT -- Performing Test CXXFLAGS_COPT - Success -- Performing Test CXXFLAGS_NOINLINE -- Performing Test CXXFLAGS_NOINLINE - Success -- Looking for include file unistd.h -- Looking for include file unistd.h - found -- Looking for include file pwd.h -- Looking for include file pwd.h - found -- Looking for include file dirent.h -- Looking for include file dirent.h - found -- Looking for include file time.h -- Looking for include file time.h - found -- Looking for include file sys/time.h -- Looking for include file sys/time.h - found -- Looking for include file io.h -- Looking for include file io.h - not found -- Looking for include file sched.h -- Looking for include file sched.h - found -- Looking for include file xmmintrin.h -- Looking for include file xmmintrin.h - found -- Looking for gettimeofday -- Looking for gettimeofday - found -- Looking for sysconf -- Looking for sysconf - found -- Looking for nice -- Looking for nice - found -- Looking for fsync -- Looking for fsync - found -- Looking for _fileno -- Looking for _fileno - not found -- Looking for fileno -- Looking for fileno - found -- Looking for _commit -- Looking for _commit - not found -- Looking for sigaction -- Looking for sigaction - found -- Performing Test HAVE_BUILTIN_CLZ -- Performing Test HAVE_BUILTIN_CLZ - Success -- Performing Test HAVE_BUILTIN_CLZLL -- Performing Test HAVE_BUILTIN_CLZLL - Success -- Looking for clock_gettime in rt -- Looking for clock_gettime in rt - found -- Looking for feenableexcept in m -- Looking for feenableexcept in m - found -- Looking for fedisableexcept in m -- Looking for fedisableexcept in m - found -- Checking for sched.h GNU affinity API -- Performing Test sched_affinity_compile -- Performing Test sched_affinity_compile - Success -- Looking for include file mm_malloc.h -- Looking for include file mm_malloc.h - found -- Looking for include file malloc.h -- Looking for include file malloc.h - found -- Checking for _mm_malloc() -- Checking for _mm_malloc() - supported -- Looking for posix_memalign -- Looking for posix_memalign - found -- Looking for memalign -- Looking for memalign - not found -- Check if the system is big endian -- Searching 16 bit integer -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for stdint.h -- Looking for stdint.h - found -- Looking for stddef.h -- Looking for stddef.h - found -- Check size of unsigned short -- Check size of unsigned short - done -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- MPI is not compatible with thread-MPI. Disabling thread-MPI. -- Checking for MPI_IN_PLACE -- Performing Test MPI_IN_PLACE_COMPILE_OK -- Performing Test MPI_IN_PLACE_COMPILE_OK - Success -- Checking for MPI_IN_PLACE - yes -- Defaulting to building static libraries -- Looking for HWLOC -- Looking for hwloc_topology_init -- Looking for hwloc_topology_init - found -- hwloc version: -- Found HWLOC: /usr/lib/x86_64-linux-gnu/libhwloc.so (found suitable version "2.4.1", minimum required is "1.5") -- Looking for pthread.h -- Looking for pthread.h - found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE -- Looking for C++ include pthread.h -- Looking for C++ include pthread.h - found -- Atomic operations found -- Performing Test PTHREAD_SETAFFINITY -- Performing Test PTHREAD_SETAFFINITY - Success -- Found ZLIB: /usr/lib/x86_64-linux-gnu/libz.so (found version "1.2.11") -- Looking for zlibVersion in /usr/lib/x86_64-linux-gnu/libz.so -- Looking for zlibVersion in /usr/lib/x86_64-linux-gnu/libz.so - found -- Checking for GCC x86 inline asm -- Checking for GCC x86 inline asm - supported -- Detected build CPU vendor - Intel -- Detected build CPU brand - Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz -- Detected build CPU family - 6 -- Detected build CPU model - 45 -- Detected build CPU stepping - 7 -- Detected build CPU features - aes apic avx clfsh cmov cx8 cx16 htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic -- Disabling RDTSCP support -- Checking for 64-bit off_t -- Checking for 64-bit off_t - present -- Checking for fseeko/ftello -- Checking for fseeko/ftello - present -- Checking for SIGUSR1 -- Checking for SIGUSR1 - found -- Checking for pipe support -- Checking for system XDR support -- Checking for system XDR support - present -- Performing Test C_msse4_1_FLAG_ACCEPTED -- Performing Test C_msse4_1_FLAG_ACCEPTED - Success -- Performing Test C_msse4_1_COMPILE_WORKS -- Performing Test C_msse4_1_COMPILE_WORKS - Success -- Performing Test CXX_msse4_1_FLAG_ACCEPTED -- Performing Test CXX_msse4_1_FLAG_ACCEPTED - Success -- Performing Test CXX_msse4_1_COMPILE_WORKS -- Performing Test CXX_msse4_1_COMPILE_WORKS - Success -- Enabling SSE4.1 SIMD instructions using CXX flags: -msse4.1 -- Performing Test _callconv___vectorcall -- Performing Test _callconv___vectorcall - Failed -- Performing Test _callconv___regcall -- Performing Test _callconv___regcall - Failed -- Performing Test _callconv_ -- Performing Test _callconv_ - Success -- pkg-config could not detect fftw3, trying generic detection -- Looking for fftw_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3.so - found -- Looking for fftw_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3.so - found -- Looking for fftw_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3.so - found -- Looking for fftw_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3.so - not found -- Looking for fftw_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3.so - not found -- Looking for fftw_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3.so -- Looking for fftw_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3.so - found -- Using external FFT library - FFTW3 -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Looking for sgemm_ -- Looking for sgemm_ - found -- Found BLAS: /usr/lib/x86_64-linux-gnu/libblas.so -- Looking for cheev_ -- Looking for cheev_ - not found -- Looking for cheev_ -- Looking for cheev_ - found -- A library with LAPACK API found. -- Checking for dlopen -- Performing Test HAVE_DLOPEN -- Performing Test HAVE_DLOPEN - Success -- Checking for dlopen - found -- GROMACS only supports plugins in a build that uses shared libraries, which can be disabled for various reasons. BUILD_SHARED_LIBS=on and a toolchain that supports dynamic linking is required. (Hint: GMX_PREFER_STATIC_LIBS and GMX_BUILD_MDRUN_ONLY can influence the default BUILD_SHARED_LIBS, so if you need plugins, reconsider those choices.) -- Not using dynamic plugins (e.g VMD-supported file formats) -- Using manually set binary suffix: "_mpi_d.openmpi" -- Using manually set library suffix: "_mpi_d.openmpi" -- Performing Test HAVE_NO_DEPRECATED_COPY -- Performing Test HAVE_NO_DEPRECATED_COPY - Success -- Performing Test HAS_NO_STRINGOP_TRUNCATION -- Performing Test HAS_NO_STRINGOP_TRUNCATION - Success -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION - Success -- Performing Test HAS_NO_REDUNDANT_MOVE -- Performing Test HAS_NO_REDUNDANT_MOVE - Success -- Performing Test HAS_NO_UNUSED -- Performing Test HAS_NO_UNUSED - Success -- Performing Test HAS_NO_UNUSED_PARAMETER -- Performing Test HAS_NO_UNUSED_PARAMETER - Success -- Performing Test HAS_NO_MISSING_DECLARATIONS -- Performing Test HAS_NO_MISSING_DECLARATIONS - Success -- Performing Test HAS_NO_NULL_CONVERSIONS -- Performing Test HAS_NO_NULL_CONVERSIONS - Success -- Performing Test HAS_NO_CLASS_MEMACCESS -- Performing Test HAS_NO_CLASS_MEMACCESS - Success -- Check if the system is big endian -- Searching 16 bit integer -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- Looking for inttypes.h -- Looking for inttypes.h - found -- Configuring done -- Generating done -- Build files have been written to: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp touch configure-stamp dh_testdir /usr/bin/make -j4 -C build/basic make[1]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/CMakeFiles /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic//CMakeFiles/progress.marks /usr/bin/make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/CMakeFiles/release-version-info.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color= Scanning dependencies of target lmfit_objlib make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build Scanning dependencies of target release-version-info make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit/lmmin.cpp make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/gromacs-lj8Hdg/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake Scanning dependencies of target scanner make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parser.cpp Scanning dependencies of target thread_mpi make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build [ 0%] Built target release-version-info make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color= Scanning dependencies of target tng_io_obj make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/lock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/pthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/system_error.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/alltoall.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/alltoall.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_protocol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/p2p_protocol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/coder.c make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 0%] Built target lmfit_objlib /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color= Scanning dependencies of target linearalgebra make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/barrier.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/barrier.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_send_recv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/p2p_send_recv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/dict.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/bcast.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/bcast.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffman.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/p2p_wait.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/collective.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/profile.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/profile.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/comm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/comm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/merge_sort.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/mtf.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/reduce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/reduce.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/event.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/event.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/reduce_fast.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/reduce_fast.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/gather.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/gather.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scatter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/scatter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/rle.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/group.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/group.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/tng_compress.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_init.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/tmpi_init.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/list.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/list.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/type.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/type.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/vals16.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/warnmalloc.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/widemuldiv.c make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 0%] Built target scanner /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color= Scanning dependencies of target modularsimulator make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc2.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/scan.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/numa_malloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/once.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 3%] Built target thread_mpi cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 3%] Built target linearalgebra /usr/bin/make -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color= Scanning dependencies of target vmddlopen make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio && /usr/bin/c++ -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/vmddlopen.dir/__/__/external/vmd_molfile/vmddlopen.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/vmd_molfile/vmddlopen.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 3%] Built target vmddlopen /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun_objlib make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/mdrun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/md5.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp /usr/bin/make -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/CMakeFiles/view_objlib.dir/DependInfo.cmake --color= Scanning dependencies of target view_objlib make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/3dview.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/3dview.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 3%] Built target mdrun_objlib cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/buttons.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/buttons.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/dialogs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/dialogs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/fgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/fgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/filter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/filter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/logo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/logo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/manager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/manager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/molps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/molps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/nleg.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/nleg.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/nmol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/nmol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/popup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/popup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/pulldown.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/pulldown.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/view.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/view.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 5%] Built target tng_io_obj cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/x11.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/x11.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/shellfcelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xdlg.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/xdlg.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/signallers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/signallers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xdlghi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/xdlghi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/statepropagatordata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xdlgitem.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/xdlgitem.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/topologyholder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/topologyholder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xmb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/xmb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/trajectoryelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/xutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/vrescalethermostat.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 7%] Built target view_objlib make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 9%] Built target modularsimulator /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cmake -D VERSION_VARIABLES=/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/VersionInfo.cmake -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion-gen.cpp.cmakein -D VERSION_OUT=utility/baseversion-gen.cpp -D GMX_SOURCE_DOI= -D GMX_RELEASE_HASH= -D GMX_SOURCE_HASH= -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxConfigureVersionInfo.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cmake -E touch utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color= Scanning dependencies of target libgromacs make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/alignedallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/any.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/any.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/basenetwork.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/binaryinformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/coolstuff.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/cstringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/datafilefinder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/directoryenumerator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorcodes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/exceptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fatalerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fileredirector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/filestream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/futil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/futil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxassert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxomp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/ikeyvaluetreeerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/init.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/init.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/inmemoryserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/int64_to_int.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreemdpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreeserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreetransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/logger.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/logger.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/loggerbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/messagestringcollector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/mpiinplacebuffers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/niceheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/path.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/path.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/physicalnodecommunicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/pleasecite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/programcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/smalloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strconvert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strdb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringstream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/sysinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/txtdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/atomdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_system.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/gridset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernel_common.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_gpu_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_geometry.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist_tuning.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/prunekerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineinit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineoptionsmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineprogramcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/filenm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/pargs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/shellcompletions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/viewit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/atomdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/box.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/box.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/cellsizes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/collect.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/distribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlbtiming.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_constraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_specatomcomm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/ga2la.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/gpuhaloexchange_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/mdsetup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/partition.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/utility.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/3dtransforms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/coordinatetransformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfittingforce.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/do_fit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/exponentialmovingaverage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/functions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/functions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/gausstransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/invertmatrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/units.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/units.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/veccompare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/vecdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/df_history.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/group.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/iforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-class-memaccess -o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/inputrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/md_enums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/observableshistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helptopic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpwritercontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/rstparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/boxutilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/mshift.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc_simd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcenums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcmethods.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/rmpbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/random/seed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/seed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tabulatednormaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/cubicsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/forcetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/quadraticsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/splineutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/cyclecounter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/wallcycle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/walltime_accounting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomprop.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomsbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/block.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/block.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/exclusionblocks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/forcefieldparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/idef.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/idef.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/ifunc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/index.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/index.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/invblock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/mtop_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/residuetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/symtab.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topsort.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/swap/swapcoords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/essentialdynamics/edsam.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/output.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/output.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull_rotation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pullutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/awh.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/awh.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/bias.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/bias.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biassharing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biaswriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/coordstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationhistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationtensor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/histogramsize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/pointstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/read_params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/simd/support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/support.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imdsocket.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/anadih.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/anadih.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/angle_correction.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/angle_correction.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/binsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/binsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/cmat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/cmat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/dens_filter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/dens_filter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/dlist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/dlist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/eigio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/eigio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/fitahx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/fitahx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_anaeig.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_anaeig.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_analyze.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_analyze.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_angle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_angle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_awh.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_awh.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_bar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_bar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_bundle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_bundle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_chi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_chi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_cluster.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_cluster.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_clustsize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_clustsize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_confrms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_confrms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_covar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_covar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_current.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_current.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_density.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_density.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_densmap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_densmap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_densorder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_densorder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_dielectric.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_dielectric.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_dipoles.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_dipoles.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_disre.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_disre.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_do_dssp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_do_dssp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_dos.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_dos.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_dyecoupl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_dyecoupl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_enemat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_enemat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_energy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_energy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_filter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_filter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_gyrate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_gyrate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_h2order.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_h2order.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_hbond.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_hbond.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_helix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_helix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_helixorient.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_helixorient.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_hydorder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_hydorder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_lie.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_lie.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_make_edi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_make_edi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_mdmat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_mdmat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_mindist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_mindist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_msd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_msd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_nmeig.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_nmeig.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_nmens.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_nmens.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_nmr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_nmr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_nmtraj.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_nmtraj.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_order.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_order.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_polystat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_polystat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_potential.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_potential.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_principal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_principal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rama.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rama.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rmsdist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rmsdist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rmsf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rmsf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rotacf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rotacf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rotmat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rotmat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_saltbr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_saltbr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_sans.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_sans.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_saxs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_saxs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_sham.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_sham.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_sigeps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_sigeps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_sorient.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_sorient.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_spatial.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_spatial.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_spol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_spol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_tcaf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_tcaf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_traj.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_traj.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_trjorder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_trjorder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_vanhove.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_vanhove.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_velacc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_velacc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_wham.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_wham.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_wheel.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_wheel.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_xpm2ps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_xpm2ps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/hxprops.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/hxprops.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/nrama.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/nrama.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/nsfactor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/nsfactor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/powerspect.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/powerspect.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/pp2shift.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/pp2shift.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/princ.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/princ.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/sfactor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/sfactor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/thermochemistry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/thermochemistry.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/add_par.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/add_par.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/calch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/calch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/convparm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/convparm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/editconf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/editconf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/fflibutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/fflibutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_ad.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gen_ad.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_maxwell_velocities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gen_maxwell_velocities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gen_vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/genconf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/genconf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/genhydro.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/genhydro.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/genion.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/genion.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/genrestr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/genrestr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gmxcpp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gmxcpp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_atomtype.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gpp_atomtype.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_bond_atomtype.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gpp_bond_atomtype.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_nextnb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gpp_nextnb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/grompp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/grompp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/h_db.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/h_db.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/hackblock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/hackblock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/hizzie.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/hizzie.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/insert_molecules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/insert_molecules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/makeexclusiondistances.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/makeexclusiondistances.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/nm2type.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/nm2type.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/pdb2gmx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/pdb2gmx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/pdb2top.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/pdb2top.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/pgutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/pgutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/readir.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/readir.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/readpull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/readpull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/readrot.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/readrot.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/resall.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/resall.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/solvate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/solvate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/specbond.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/specbond.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/ter_db.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/ter_db.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/tomorse.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tomorse.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/topdirs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/topdirs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/topio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/topio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/toppush.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/toppush.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/topshake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/topshake.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/toputil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/toputil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/vsite_parm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/vsite_parm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/x2top.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/x2top.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/xlate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/xlate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/autocorr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/autocorr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/crosscorr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/crosscorr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/expfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/expfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/gmx_lmcurve.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/gmx_lmcurve.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/integrate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/integrate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/manyautocorrelation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/manyautocorrelation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/polynomials.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/polynomials.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/statistics/statistics.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/statistics/statistics.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/abstractdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/abstractdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/analysisdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/analysisdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/arraydata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/arraydata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/dataframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/dataframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/datamodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/datamodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/datamodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/datamodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/dataproxy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/dataproxy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/datastorage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/datastorage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/average.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/average.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/displacement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/displacement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/frameaverager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/frameaverager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/histogram.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/histogram.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/lifetime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/lifetime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/plot.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/plot.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/coordinatefile.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/coordinatefile.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadaptercontainer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadaptercontainer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/outputselector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/outputselector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setatoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setatoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setforces.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setforces.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setprecision.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setprecision.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setstarttime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setstarttime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/settimestep.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/settimestep.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setvelocities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setvelocities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/requirements.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/requirements.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/analysismodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/analysismodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/analysissettings.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/analysissettings.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/cmdlinerunner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/cmdlinerunner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/angle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/angle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/convert_trj.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/convert_trj.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/distance.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/distance.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/extract_cluster.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/extract_cluster.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/freevolume.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/freevolume.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/pairdist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/pairdist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/rdf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/rdf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/sasa.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/sasa.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/select.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/select.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/surfacearea.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/surfacearea.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/trajectory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/trajectory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/runnercommon.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/runnercommon.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/topologyinformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/topologyinformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/check.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/check.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/convert_tpr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/convert_tpr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/dump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/dump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/eneconv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/eneconv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/make_ndx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/make_ndx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/mk_angndx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/mk_angndx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/pme_error.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/pme_error.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/report_methods.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/report_methods.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/trjcat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/trjcat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/trjconv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/trjconv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/tune_pme.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/tune_pme.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/conformation_utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nrnb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/boxdeformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/broadcaststructs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calc_verletbuf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcmu.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcvir.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/checkpointhandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/compute_io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constraintrange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/coupling.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/dispersioncorrection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/ebin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/enerdata_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/energyoutput.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/force.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/gmx_omp_nthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/groupcoord.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/lincs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/md_support.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdatoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdebin_bar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdoutf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/membed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/nsgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/perf_est.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gamess.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gaussian.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_mopac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_orca.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qmmm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rbin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/resethandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rf_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/settle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/shake.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sighandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sim_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/simulationsignal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/splitter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stophandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tgroup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/trajectory_writing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update_constrain_cuda_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroups.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroupscog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vcm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/wall.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfitting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingamplitudelookup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoutputprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/electricfield.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/bonded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/disre.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/gpubonded_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_forces.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/manage_threading.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/orires.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/pairs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/position_restraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/restcbt.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/calculate_spline_moduli.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/long_range_correction.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gather.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_load_balancing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_solve.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spline_work.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spread.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp_comm_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_force_sender_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/calcgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft5d.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/parallel_3dfft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft_fftw3.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/clfftinitializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/hostallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_testutils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/cpuinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/detecthardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/gpu_hw_info.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/hardwaretopology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/printhardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/identifyavx512fmaunits.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacymdrunoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacysimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/md.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mdmodules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mimic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/minimize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/replicaexchange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/rerun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/runner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/shellfc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/simulationcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/tpi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/handlerestart.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/logging.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/multisim.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/printtime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/threadaffinity.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/basicoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/behaviorcollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/options.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/options.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsassigner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsvisitor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/timeunitmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/treesupport.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/manager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/restraintmdmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidegpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidesimulationworkload.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/findallgputasks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/reportgpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/resourcedivision.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/taskassignment.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/usergpuids.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/energyframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/trajectoryframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/communicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/checkpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/confio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/enxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/espio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/filetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/g96io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmx_internal_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/groio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/libxdrf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/matio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/md5.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymapheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mtxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/oenv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/pdbio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/readinp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/timecontrol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tngio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tpxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trrio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/vmdio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/warninp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/writeps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xdrd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xtcio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xvgr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/centerofmass.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/compiler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/evaluate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/indexutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/mempool.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/nbsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parsetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/poscalc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectioncollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionbehavior.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selelem.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selhelp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selmethod.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selvalue.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_distance.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_insolidangle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_keywords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_merge.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_permute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_same.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_simple.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/symrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgromacs.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libgromacs.so.5 -o ../../lib/libgromacs.so.5.0.0 CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o CMakeFiles/libgromacs.dir/utility/any.cpp.o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o CMakeFiles/libgromacs.dir/utility/compare.cpp.o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o CMakeFiles/libgromacs.dir/utility/futil.cpp.o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o CMakeFiles/libgromacs.dir/utility/init.cpp.o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o CMakeFiles/libgromacs.dir/utility/logger.cpp.o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o CMakeFiles/libgromacs.dir/utility/path.cpp.o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o CMakeFiles/libgromacs.dir/domdec/box.cpp.o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o CMakeFiles/libgromacs.dir/math/functions.cpp.o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o CMakeFiles/libgromacs.dir/math/units.cpp.o CMakeFiles/libgromacs.dir/math/utilities.cpp.o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o CMakeFiles/libgromacs.dir/random/seed.cpp.o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o CMakeFiles/libgromacs.dir/topology/block.cpp.o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o CMakeFiles/libgromacs.dir/topology/idef.cpp.o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o CMakeFiles/libgromacs.dir/topology/index.cpp.o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o CMakeFiles/libgromacs.dir/topology/topology.cpp.o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o CMakeFiles/libgromacs.dir/pulling/output.cpp.o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o CMakeFiles/libgromacs.dir/awh/awh.cpp.o CMakeFiles/libgromacs.dir/awh/bias.cpp.o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o CMakeFiles/libgromacs.dir/awh/grid.cpp.o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o CMakeFiles/libgromacs.dir/simd/support.cpp.o CMakeFiles/libgromacs.dir/imd/imd.cpp.o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o CMakeFiles/libgromacs.dir/gmxana/anadih.cpp.o CMakeFiles/libgromacs.dir/gmxana/angle_correction.cpp.o CMakeFiles/libgromacs.dir/gmxana/binsearch.cpp.o CMakeFiles/libgromacs.dir/gmxana/cmat.cpp.o CMakeFiles/libgromacs.dir/gmxana/dens_filter.cpp.o CMakeFiles/libgromacs.dir/gmxana/dlist.cpp.o CMakeFiles/libgromacs.dir/gmxana/eigio.cpp.o CMakeFiles/libgromacs.dir/gmxana/fitahx.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_anaeig.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_analyze.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_angle.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_awh.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_bar.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_bundle.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_chi.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_cluster.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_clustsize.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_confrms.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_covar.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_current.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_density.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_densmap.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_densorder.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_dielectric.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_dipoles.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_disre.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_do_dssp.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_dos.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_dyecoupl.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_enemat.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_energy.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_filter.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_gyrate.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_h2order.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_hbond.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_helix.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_helixorient.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_hydorder.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_lie.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_make_edi.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_mdmat.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_mindist.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_msd.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_nmeig.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_nmens.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_nmr.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_nmtraj.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_order.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_polystat.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_potential.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_principal.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rama.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rms.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rmsdist.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rmsf.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rotacf.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rotmat.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_saltbr.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_sans.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_saxs.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_sham.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_sigeps.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_sorient.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_spatial.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_spol.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_tcaf.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_traj.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_trjorder.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_vanhove.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_velacc.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_wham.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_wheel.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_xpm2ps.cpp.o CMakeFiles/libgromacs.dir/gmxana/hxprops.cpp.o CMakeFiles/libgromacs.dir/gmxana/nrama.cpp.o CMakeFiles/libgromacs.dir/gmxana/nsfactor.cpp.o CMakeFiles/libgromacs.dir/gmxana/powerspect.cpp.o CMakeFiles/libgromacs.dir/gmxana/pp2shift.cpp.o CMakeFiles/libgromacs.dir/gmxana/princ.cpp.o CMakeFiles/libgromacs.dir/gmxana/sfactor.cpp.o CMakeFiles/libgromacs.dir/gmxana/thermochemistry.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/add_par.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/calch.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/convparm.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/editconf.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/fflibutil.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_ad.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_maxwell_velocities.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_vsite.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/genconf.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/genhydro.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/genion.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/genrestr.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gmxcpp.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_atomtype.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_bond_atomtype.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_nextnb.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/grompp.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/h_db.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/hackblock.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/hizzie.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/insert_molecules.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/makeexclusiondistances.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/nm2type.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/pdb2gmx.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/pdb2top.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/pgutil.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/readir.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/readpull.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/readrot.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/resall.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/solvate.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/specbond.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/ter_db.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/tomorse.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/topdirs.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/topio.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/toppush.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/topshake.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/toputil.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/vsite_parm.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/x2top.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/xlate.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/autocorr.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/crosscorr.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/expfit.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/gmx_lmcurve.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/integrate.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/manyautocorrelation.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/polynomials.cpp.o CMakeFiles/libgromacs.dir/statistics/statistics.cpp.o CMakeFiles/libgromacs.dir/analysisdata/abstractdata.cpp.o CMakeFiles/libgromacs.dir/analysisdata/analysisdata.cpp.o CMakeFiles/libgromacs.dir/analysisdata/arraydata.cpp.o CMakeFiles/libgromacs.dir/analysisdata/dataframe.cpp.o CMakeFiles/libgromacs.dir/analysisdata/datamodule.cpp.o CMakeFiles/libgromacs.dir/analysisdata/datamodulemanager.cpp.o CMakeFiles/libgromacs.dir/analysisdata/dataproxy.cpp.o CMakeFiles/libgromacs.dir/analysisdata/datastorage.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/average.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/displacement.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/frameaverager.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/histogram.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/lifetime.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/plot.cpp.o CMakeFiles/libgromacs.dir/coordinateio/coordinatefile.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadaptercontainer.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/outputselector.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setatoms.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setforces.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setprecision.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setstarttime.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/settimestep.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setvelocities.cpp.o CMakeFiles/libgromacs.dir/coordinateio/requirements.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/analysismodule.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/analysissettings.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/cmdlinerunner.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/angle.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/convert_trj.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/distance.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/extract_cluster.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/freevolume.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/pairdist.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/rdf.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/sasa.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/select.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/surfacearea.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/trajectory.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/runnercommon.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/topologyinformation.cpp.o CMakeFiles/libgromacs.dir/tools/check.cpp.o CMakeFiles/libgromacs.dir/tools/convert_tpr.cpp.o CMakeFiles/libgromacs.dir/tools/dump.cpp.o CMakeFiles/libgromacs.dir/tools/eneconv.cpp.o CMakeFiles/libgromacs.dir/tools/make_ndx.cpp.o CMakeFiles/libgromacs.dir/tools/mk_angndx.cpp.o CMakeFiles/libgromacs.dir/tools/pme_error.cpp.o CMakeFiles/libgromacs.dir/tools/report_methods.cpp.o CMakeFiles/libgromacs.dir/tools/trjcat.cpp.o CMakeFiles/libgromacs.dir/tools/trjconv.cpp.o CMakeFiles/libgromacs.dir/tools/tune_pme.cpp.o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o CMakeFiles/libgromacs.dir/fft/fft.cpp.o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o CMakeFiles/libgromacs.dir/options/options.cpp.o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o CMakeFiles/libgromacs.dir/selection/params.cpp.o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o CMakeFiles/libgromacs.dir/selection/position.cpp.o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o CMakeFiles/libgromacs.dir/selection/selection.cpp.o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/matrix.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/nrjac.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/constraintelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/domdechelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/energyelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/forceelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/propagator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/signallers.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/topologyholder.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/alltoall.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_protocol.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/barrier.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_send_recv.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/bcast.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/profile.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/comm.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/reduce.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/event.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/reduce_fast.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/gather.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scatter.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/group.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_init.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/topology.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/list.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/type.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o fileio/CMakeFiles/vmddlopen.dir/__/__/external/vmd_molfile/vmddlopen.cpp.o selection/CMakeFiles/scanner.dir/parser.cpp.o selection/CMakeFiles/scanner.dir/scanner.cpp.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o /usr/lib/x86_64-linux-gnu/libhwloc.so -ldl -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so -lpthread -lm /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/liblapack.so -lpthread -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libgromacs.so.5.0.0 ../../lib/libgromacs.so.5 ../../lib/libgromacs.so make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 98%] Built target libgromacs /usr/bin/make -f share/template/CMakeFiles/template.dir/build.make share/template/CMakeFiles/template.dir/depend /usr/bin/make -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/depend /usr/bin/make -f src/api/cpp/CMakeFiles/gmxapi.dir/build.make src/api/cpp/CMakeFiles/gmxapi.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/share/template /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/share/template /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/share/template/CMakeFiles/template.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/CMakeFiles/gmx.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/CMakeFiles/gmxapi.dir/DependInfo.cmake --color= Scanning dependencies of target template make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f share/template/CMakeFiles/template.dir/build.make share/template/CMakeFiles/template.dir/build Scanning dependencies of target gmx make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/share/template && /usr/bin/c++ -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -std=c++14 -o CMakeFiles/template.dir/template.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/share/template/template.cpp /usr/bin/make -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmx.dir/gmx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/gmx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmx.dir/legacymodules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/legacymodules.cpp Scanning dependencies of target gmxapi make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/api/cpp/CMakeFiles/gmxapi.dir/build.make src/api/cpp/CMakeFiles/gmxapi.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/context.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/context.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/exceptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/exceptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/gmxapi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/gmxapi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmx.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/gmx.dir/gmx.cpp.o CMakeFiles/gmx.dir/legacymodules.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o CMakeFiles/view_objlib.dir/view/3dview.cpp.o CMakeFiles/view_objlib.dir/view/buttons.cpp.o CMakeFiles/view_objlib.dir/view/dialogs.cpp.o CMakeFiles/view_objlib.dir/view/fgrid.cpp.o CMakeFiles/view_objlib.dir/view/filter.cpp.o CMakeFiles/view_objlib.dir/view/logo.cpp.o CMakeFiles/view_objlib.dir/view/manager.cpp.o CMakeFiles/view_objlib.dir/view/molps.cpp.o CMakeFiles/view_objlib.dir/view/nleg.cpp.o CMakeFiles/view_objlib.dir/view/nmol.cpp.o CMakeFiles/view_objlib.dir/view/popup.cpp.o CMakeFiles/view_objlib.dir/view/pulldown.cpp.o CMakeFiles/view_objlib.dir/view/view.cpp.o CMakeFiles/view_objlib.dir/view/x11.cpp.o CMakeFiles/view_objlib.dir/view/xdlg.cpp.o CMakeFiles/view_objlib.dir/view/xdlghi.cpp.o CMakeFiles/view_objlib.dir/view/xdlgitem.cpp.o CMakeFiles/view_objlib.dir/view/xmb.cpp.o CMakeFiles/view_objlib.dir/view/xutil.cpp.o -o ../../bin/gmx ../../lib/libgromacs.so.5.0.0 /usr/lib/x86_64-linux-gnu/libX11.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/md.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/md.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 98%] Built target gmx cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/mdmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/mdmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/mdsignals.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/mdsignals.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/share/template && /usr/bin/cmake -E cmake_link_script CMakeFiles/template.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/template.dir/template.cpp.o -o ../../bin/template ../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 98%] Built target template cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/session.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/session.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/status.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/status.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/system.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/system.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/version.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/version.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/workflow.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/workflow.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/tpr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tpr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libgmxapi.so.0 -o ../../../lib/libgmxapi.so.0.1.0 CMakeFiles/gmxapi.dir/context.cpp.o CMakeFiles/gmxapi.dir/exceptions.cpp.o CMakeFiles/gmxapi.dir/gmxapi.cpp.o CMakeFiles/gmxapi.dir/md.cpp.o CMakeFiles/gmxapi.dir/mdmodule.cpp.o CMakeFiles/gmxapi.dir/mdsignals.cpp.o CMakeFiles/gmxapi.dir/session.cpp.o CMakeFiles/gmxapi.dir/status.cpp.o CMakeFiles/gmxapi.dir/system.cpp.o CMakeFiles/gmxapi.dir/version.cpp.o CMakeFiles/gmxapi.dir/workflow.cpp.o CMakeFiles/gmxapi.dir/tpr.cpp.o ../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libgmxapi.so.0.1.0 ../../../lib/libgmxapi.so.0 ../../../lib/libgmxapi.so make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [100%] Built target gmxapi make[2]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/CMakeFiles 0 make[1]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -j4 -C build/basic-dp make[1]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/CMakeFiles /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp//CMakeFiles/progress.marks /usr/bin/make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/CMakeFiles/release-version-info.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color= Scanning dependencies of target lmfit_objlib Scanning dependencies of target release-version-info make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' Scanning dependencies of target scanner make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit/lmmin.cpp make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parser.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/gromacs-lj8Hdg/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' Scanning dependencies of target thread_mpi make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build [ 1%] Built target release-version-info /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color= Scanning dependencies of target tng_io_obj make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/lock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/pthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/system_error.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/alltoall.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/alltoall.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_protocol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/p2p_protocol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/coder.c make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 1%] Built target lmfit_objlib /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color= Scanning dependencies of target linearalgebra make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/barrier.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/barrier.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_send_recv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/p2p_send_recv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/dict.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/bcast.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/bcast.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffman.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/p2p_wait.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/collective.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/profile.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/profile.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/comm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/comm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/merge_sort.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/mtf.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/reduce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/reduce.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/event.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/event.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/reduce_fast.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/reduce_fast.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/gather.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/gather.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/rle.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scatter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/scatter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/tng_compress.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/group.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/group.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_init.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/tmpi_init.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/list.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/list.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/type.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/type.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/vals16.c make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 1%] Built target scanner /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/warnmalloc.c Scanning dependencies of target modularsimulator make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/widemuldiv.c make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc2.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 1%] Built target linearalgebra /usr/bin/make -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color= Scanning dependencies of target vmddlopen make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio && /usr/bin/c++ -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/vmddlopen.dir/__/__/external/vmd_molfile/vmddlopen.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/vmd_molfile/vmddlopen.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 1%] Built target vmddlopen /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun_objlib make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/mdrun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/scan.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/numa_malloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/once.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 5%] Built target thread_mpi /usr/bin/make -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/CMakeFiles/view_objlib.dir/DependInfo.cmake --color= Scanning dependencies of target view_objlib make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/build cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/3dview.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/3dview.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/buttons.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/buttons.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/dialogs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/dialogs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/fgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/fgrid.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 5%] Built target mdrun_objlib cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/filter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/filter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/logo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/logo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/manager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/manager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/molps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/molps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/nleg.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/nleg.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/nmol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/nmol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/popup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/popup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/pulldown.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/pulldown.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/view.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/view.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/md5.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/x11.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/x11.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 7%] Built target tng_io_obj cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/shellfcelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xdlg.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/xdlg.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xdlghi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/xdlghi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xdlgitem.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/xdlgitem.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xmb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/xmb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/signallers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/signallers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/view_objlib.dir/view/xutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/xutil.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 9%] Built target view_objlib cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/statepropagatordata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/topologyholder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/topologyholder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/trajectoryelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/vrescalethermostat.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 11%] Built target modularsimulator /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cmake -D VERSION_VARIABLES=/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/VersionInfo.cmake -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion-gen.cpp.cmakein -D VERSION_OUT=utility/baseversion-gen.cpp -D GMX_SOURCE_DOI= -D GMX_RELEASE_HASH= -D GMX_SOURCE_HASH= -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxConfigureVersionInfo.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cmake -E touch utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color= Scanning dependencies of target libgromacs make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/alignedallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/any.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/any.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/basenetwork.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/binaryinformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/coolstuff.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/cstringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/datafilefinder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/directoryenumerator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorcodes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/exceptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fatalerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fileredirector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/filestream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/futil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/futil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxassert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxomp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/ikeyvaluetreeerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/init.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/init.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/inmemoryserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/int64_to_int.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreemdpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreeserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreetransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/logger.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/logger.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/loggerbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/messagestringcollector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/mpiinplacebuffers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/niceheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/path.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/path.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/physicalnodecommunicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/pleasecite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/programcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/smalloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strconvert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strdb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringstream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/sysinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/txtdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/atomdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_system.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/gridset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernel_common.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_gpu_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_geometry.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist_tuning.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/prunekerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineinit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineoptionsmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineprogramcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/filenm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/pargs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/shellcompletions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/viewit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/atomdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/box.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/box.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/cellsizes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/collect.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/distribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlbtiming.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_constraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_specatomcomm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/ga2la.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/gpuhaloexchange_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/mdsetup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/partition.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/utility.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/3dtransforms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/coordinatetransformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfittingforce.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/do_fit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/exponentialmovingaverage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/functions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/functions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/gausstransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/invertmatrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/units.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/units.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/veccompare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/vecdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/df_history.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/group.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/iforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-class-memaccess -o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/inputrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/md_enums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/observableshistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helptopic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpwritercontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/rstparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/boxutilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/mshift.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc_simd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcenums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcmethods.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/rmpbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/random/seed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/seed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tabulatednormaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/cubicsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/forcetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/quadraticsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/splineutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/cyclecounter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/wallcycle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/walltime_accounting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomprop.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomsbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/block.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/block.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/exclusionblocks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/forcefieldparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/idef.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/idef.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/ifunc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/index.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/index.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/invblock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/mtop_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/residuetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/symtab.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topsort.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/swap/swapcoords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/essentialdynamics/edsam.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/output.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/output.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull_rotation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pullutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/awh.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/awh.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/bias.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/bias.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biassharing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biaswriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/coordstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationhistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationtensor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/histogramsize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/pointstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/read_params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/simd/support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/support.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imdsocket.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/anadih.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/anadih.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/angle_correction.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/angle_correction.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/binsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/binsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/cmat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/cmat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/dens_filter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/dens_filter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/dlist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/dlist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/eigio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/eigio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/fitahx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/fitahx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_anaeig.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_anaeig.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_analyze.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_analyze.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_angle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_angle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_awh.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_awh.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_bar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_bar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_bundle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_bundle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_chi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_chi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_cluster.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_cluster.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_clustsize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_clustsize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_confrms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_confrms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_covar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_covar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_current.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_current.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_density.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_density.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_densmap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_densmap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_densorder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_densorder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_dielectric.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_dielectric.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_dipoles.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_dipoles.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_disre.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_disre.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_do_dssp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_do_dssp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_dos.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_dos.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_dyecoupl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_dyecoupl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_enemat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_enemat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_energy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_energy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_filter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_filter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_gyrate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_gyrate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_h2order.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_h2order.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_hbond.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_hbond.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_helix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_helix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_helixorient.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_helixorient.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_hydorder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_hydorder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_lie.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_lie.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_make_edi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_make_edi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_mdmat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_mdmat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_mindist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_mindist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_msd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_msd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_nmeig.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_nmeig.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_nmens.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_nmens.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_nmr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_nmr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_nmtraj.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_nmtraj.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_order.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_order.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_polystat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_polystat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_potential.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_potential.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_principal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_principal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rama.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rama.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rmsdist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rmsdist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rmsf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rmsf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rotacf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rotacf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rotmat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rotmat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_saltbr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_saltbr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_sans.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_sans.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_saxs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_saxs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_sham.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_sham.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_sigeps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_sigeps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_sorient.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_sorient.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_spatial.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_spatial.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_spol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_spol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_tcaf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_tcaf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_traj.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_traj.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_trjorder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_trjorder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_vanhove.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_vanhove.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_velacc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_velacc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_wham.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_wham.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_wheel.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_wheel.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_xpm2ps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_xpm2ps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/hxprops.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/hxprops.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/nrama.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/nrama.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/nsfactor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/nsfactor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/powerspect.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/powerspect.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/pp2shift.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/pp2shift.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/princ.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/princ.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/sfactor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/sfactor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/thermochemistry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/thermochemistry.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/add_par.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/add_par.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/calch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/calch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/convparm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/convparm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/editconf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/editconf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/fflibutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/fflibutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_ad.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gen_ad.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_maxwell_velocities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gen_maxwell_velocities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gen_vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/genconf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/genconf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/genhydro.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/genhydro.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/genion.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/genion.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/genrestr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/genrestr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gmxcpp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gmxcpp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_atomtype.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gpp_atomtype.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_bond_atomtype.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gpp_bond_atomtype.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_nextnb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gpp_nextnb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/grompp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/grompp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/h_db.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/h_db.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/hackblock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/hackblock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/hizzie.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/hizzie.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/insert_molecules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/insert_molecules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/makeexclusiondistances.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/makeexclusiondistances.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/nm2type.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/nm2type.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/pdb2gmx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/pdb2gmx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/pdb2top.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/pdb2top.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/pgutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/pgutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/readir.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/readir.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/readpull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/readpull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/readrot.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/readrot.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/resall.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/resall.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/solvate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/solvate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/specbond.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/specbond.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/ter_db.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/ter_db.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/tomorse.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tomorse.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/topdirs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/topdirs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/topio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/topio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/toppush.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/toppush.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/topshake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/topshake.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/toputil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/toputil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/vsite_parm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/vsite_parm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/x2top.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/x2top.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/xlate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/xlate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/autocorr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/autocorr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/crosscorr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/crosscorr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/expfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/expfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/gmx_lmcurve.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/gmx_lmcurve.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/integrate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/integrate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/manyautocorrelation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/manyautocorrelation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/polynomials.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/polynomials.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/statistics/statistics.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/statistics/statistics.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/abstractdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/abstractdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/analysisdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/analysisdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/arraydata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/arraydata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/dataframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/dataframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/datamodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/datamodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/datamodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/datamodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/dataproxy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/dataproxy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/datastorage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/datastorage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/average.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/average.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/displacement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/displacement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/frameaverager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/frameaverager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/histogram.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/histogram.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/lifetime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/lifetime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/plot.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/plot.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/coordinatefile.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/coordinatefile.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadaptercontainer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadaptercontainer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/outputselector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/outputselector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setatoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setatoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setforces.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setforces.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setprecision.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setprecision.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setstarttime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setstarttime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/settimestep.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/settimestep.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setvelocities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setvelocities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/requirements.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/requirements.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/analysismodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/analysismodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/analysissettings.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/analysissettings.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/cmdlinerunner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/cmdlinerunner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/angle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/angle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/convert_trj.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/convert_trj.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/distance.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/distance.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/extract_cluster.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/extract_cluster.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/freevolume.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/freevolume.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/pairdist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/pairdist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/rdf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/rdf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/sasa.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/sasa.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/select.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/select.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/surfacearea.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/surfacearea.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/trajectory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/trajectory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/runnercommon.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/runnercommon.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/topologyinformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/topologyinformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/check.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/check.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/convert_tpr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/convert_tpr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/dump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/dump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/eneconv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/eneconv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/make_ndx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/make_ndx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/mk_angndx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/mk_angndx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/pme_error.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/pme_error.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/report_methods.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/report_methods.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/trjcat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/trjcat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/trjconv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/trjconv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tools/tune_pme.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/tune_pme.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/conformation_utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nrnb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/boxdeformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/broadcaststructs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calc_verletbuf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcmu.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcvir.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/checkpointhandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/compute_io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constraintrange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/coupling.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/dispersioncorrection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/ebin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/enerdata_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/energyoutput.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/force.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/gmx_omp_nthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/groupcoord.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/lincs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/md_support.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdatoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdebin_bar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdoutf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/membed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/nsgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/perf_est.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gamess.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gaussian.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_mopac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_orca.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qmmm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rbin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/resethandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rf_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/settle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/shake.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sighandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sim_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/simulationsignal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/splitter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stophandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tgroup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/trajectory_writing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update_constrain_cuda_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroups.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroupscog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vcm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/wall.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfitting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingamplitudelookup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoutputprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/electricfield.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/bonded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/disre.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/gpubonded_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_forces.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/manage_threading.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/orires.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/pairs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/position_restraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/restcbt.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/calculate_spline_moduli.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/long_range_correction.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gather.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_load_balancing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_solve.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spline_work.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spread.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp_comm_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_force_sender_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/calcgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft5d.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/parallel_3dfft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft_fftw3.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/clfftinitializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/hostallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_testutils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/cpuinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/detecthardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/gpu_hw_info.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/hardwaretopology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/printhardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/identifyavx512fmaunits.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacymdrunoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacysimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/md.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mdmodules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mimic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/minimize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/replicaexchange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/rerun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/runner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/shellfc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/simulationcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/tpi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/handlerestart.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/logging.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/multisim.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/printtime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/threadaffinity.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/basicoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/behaviorcollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/options.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/options.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsassigner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsvisitor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/timeunitmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/treesupport.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/manager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/restraintmdmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidegpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidesimulationworkload.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/findallgputasks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/reportgpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/resourcedivision.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/taskassignment.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/usergpuids.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/energyframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/trajectoryframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/communicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/checkpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/confio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/enxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/espio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/filetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/g96io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmx_internal_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/groio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/libxdrf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/matio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/md5.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymapheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mtxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/oenv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/pdbio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/readinp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/timecontrol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tngio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tpxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trrio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/vmdio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/warninp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/writeps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xdrd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xtcio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xvgr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/centerofmass.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/compiler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/evaluate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/indexutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/mempool.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/nbsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parsetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/poscalc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectioncollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionbehavior.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selelem.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selhelp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selmethod.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selvalue.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_distance.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_insolidangle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_keywords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_merge.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_permute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_same.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_simple.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/symrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgromacs.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libgromacs_d.so.5 -o ../../lib/libgromacs_d.so.5.0.0 CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o CMakeFiles/libgromacs.dir/utility/any.cpp.o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o CMakeFiles/libgromacs.dir/utility/compare.cpp.o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o CMakeFiles/libgromacs.dir/utility/futil.cpp.o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o CMakeFiles/libgromacs.dir/utility/init.cpp.o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o CMakeFiles/libgromacs.dir/utility/logger.cpp.o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o CMakeFiles/libgromacs.dir/utility/path.cpp.o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o CMakeFiles/libgromacs.dir/domdec/box.cpp.o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o CMakeFiles/libgromacs.dir/math/functions.cpp.o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o CMakeFiles/libgromacs.dir/math/units.cpp.o CMakeFiles/libgromacs.dir/math/utilities.cpp.o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o CMakeFiles/libgromacs.dir/random/seed.cpp.o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o CMakeFiles/libgromacs.dir/topology/block.cpp.o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o CMakeFiles/libgromacs.dir/topology/idef.cpp.o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o CMakeFiles/libgromacs.dir/topology/index.cpp.o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o CMakeFiles/libgromacs.dir/topology/topology.cpp.o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o CMakeFiles/libgromacs.dir/pulling/output.cpp.o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o CMakeFiles/libgromacs.dir/awh/awh.cpp.o CMakeFiles/libgromacs.dir/awh/bias.cpp.o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o CMakeFiles/libgromacs.dir/awh/grid.cpp.o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o CMakeFiles/libgromacs.dir/simd/support.cpp.o CMakeFiles/libgromacs.dir/imd/imd.cpp.o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o CMakeFiles/libgromacs.dir/gmxana/anadih.cpp.o CMakeFiles/libgromacs.dir/gmxana/angle_correction.cpp.o CMakeFiles/libgromacs.dir/gmxana/binsearch.cpp.o CMakeFiles/libgromacs.dir/gmxana/cmat.cpp.o CMakeFiles/libgromacs.dir/gmxana/dens_filter.cpp.o CMakeFiles/libgromacs.dir/gmxana/dlist.cpp.o CMakeFiles/libgromacs.dir/gmxana/eigio.cpp.o CMakeFiles/libgromacs.dir/gmxana/fitahx.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_anaeig.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_analyze.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_angle.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_awh.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_bar.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_bundle.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_chi.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_cluster.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_clustsize.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_confrms.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_covar.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_current.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_density.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_densmap.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_densorder.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_dielectric.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_dipoles.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_disre.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_do_dssp.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_dos.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_dyecoupl.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_enemat.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_energy.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_filter.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_gyrate.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_h2order.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_hbond.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_helix.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_helixorient.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_hydorder.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_lie.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_make_edi.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_mdmat.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_mindist.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_msd.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_nmeig.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_nmens.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_nmr.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_nmtraj.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_order.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_polystat.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_potential.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_principal.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rama.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rms.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rmsdist.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rmsf.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rotacf.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rotmat.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_saltbr.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_sans.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_saxs.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_sham.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_sigeps.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_sorient.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_spatial.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_spol.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_tcaf.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_traj.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_trjorder.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_vanhove.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_velacc.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_wham.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_wheel.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_xpm2ps.cpp.o CMakeFiles/libgromacs.dir/gmxana/hxprops.cpp.o CMakeFiles/libgromacs.dir/gmxana/nrama.cpp.o CMakeFiles/libgromacs.dir/gmxana/nsfactor.cpp.o CMakeFiles/libgromacs.dir/gmxana/powerspect.cpp.o CMakeFiles/libgromacs.dir/gmxana/pp2shift.cpp.o CMakeFiles/libgromacs.dir/gmxana/princ.cpp.o CMakeFiles/libgromacs.dir/gmxana/sfactor.cpp.o CMakeFiles/libgromacs.dir/gmxana/thermochemistry.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/add_par.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/calch.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/convparm.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/editconf.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/fflibutil.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_ad.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_maxwell_velocities.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_vsite.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/genconf.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/genhydro.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/genion.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/genrestr.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gmxcpp.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_atomtype.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_bond_atomtype.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_nextnb.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/grompp.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/h_db.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/hackblock.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/hizzie.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/insert_molecules.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/makeexclusiondistances.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/nm2type.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/pdb2gmx.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/pdb2top.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/pgutil.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/readir.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/readpull.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/readrot.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/resall.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/solvate.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/specbond.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/ter_db.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/tomorse.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/topdirs.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/topio.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/toppush.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/topshake.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/toputil.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/vsite_parm.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/x2top.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/xlate.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/autocorr.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/crosscorr.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/expfit.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/gmx_lmcurve.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/integrate.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/manyautocorrelation.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/polynomials.cpp.o CMakeFiles/libgromacs.dir/statistics/statistics.cpp.o CMakeFiles/libgromacs.dir/analysisdata/abstractdata.cpp.o CMakeFiles/libgromacs.dir/analysisdata/analysisdata.cpp.o CMakeFiles/libgromacs.dir/analysisdata/arraydata.cpp.o CMakeFiles/libgromacs.dir/analysisdata/dataframe.cpp.o CMakeFiles/libgromacs.dir/analysisdata/datamodule.cpp.o CMakeFiles/libgromacs.dir/analysisdata/datamodulemanager.cpp.o CMakeFiles/libgromacs.dir/analysisdata/dataproxy.cpp.o CMakeFiles/libgromacs.dir/analysisdata/datastorage.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/average.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/displacement.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/frameaverager.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/histogram.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/lifetime.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/plot.cpp.o CMakeFiles/libgromacs.dir/coordinateio/coordinatefile.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadaptercontainer.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/outputselector.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setatoms.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setforces.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setprecision.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setstarttime.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/settimestep.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setvelocities.cpp.o CMakeFiles/libgromacs.dir/coordinateio/requirements.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/analysismodule.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/analysissettings.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/cmdlinerunner.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/angle.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/convert_trj.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/distance.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/extract_cluster.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/freevolume.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/pairdist.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/rdf.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/sasa.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/select.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/surfacearea.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/trajectory.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/runnercommon.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/topologyinformation.cpp.o CMakeFiles/libgromacs.dir/tools/check.cpp.o CMakeFiles/libgromacs.dir/tools/convert_tpr.cpp.o CMakeFiles/libgromacs.dir/tools/dump.cpp.o CMakeFiles/libgromacs.dir/tools/eneconv.cpp.o CMakeFiles/libgromacs.dir/tools/make_ndx.cpp.o CMakeFiles/libgromacs.dir/tools/mk_angndx.cpp.o CMakeFiles/libgromacs.dir/tools/pme_error.cpp.o CMakeFiles/libgromacs.dir/tools/report_methods.cpp.o CMakeFiles/libgromacs.dir/tools/trjcat.cpp.o CMakeFiles/libgromacs.dir/tools/trjconv.cpp.o CMakeFiles/libgromacs.dir/tools/tune_pme.cpp.o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o CMakeFiles/libgromacs.dir/fft/fft.cpp.o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o CMakeFiles/libgromacs.dir/options/options.cpp.o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o CMakeFiles/libgromacs.dir/selection/params.cpp.o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o CMakeFiles/libgromacs.dir/selection/position.cpp.o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o CMakeFiles/libgromacs.dir/selection/selection.cpp.o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/matrix.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/nrjac.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/constraintelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/domdechelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/energyelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/forceelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/propagator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/signallers.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/topologyholder.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/alltoall.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_protocol.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/barrier.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_send_recv.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/bcast.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/profile.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/comm.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/reduce.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/event.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/reduce_fast.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/gather.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scatter.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/group.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_init.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/topology.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/list.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/type.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o fileio/CMakeFiles/vmddlopen.dir/__/__/external/vmd_molfile/vmddlopen.cpp.o selection/CMakeFiles/scanner.dir/parser.cpp.o selection/CMakeFiles/scanner.dir/scanner.cpp.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o /usr/lib/x86_64-linux-gnu/libhwloc.so -ldl -lrt /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so -lpthread -lm /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/liblapack.so -lpthread -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libgromacs_d.so.5.0.0 ../../lib/libgromacs_d.so.5 ../../lib/libgromacs_d.so make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 98%] Built target libgromacs /usr/bin/make -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/depend /usr/bin/make -f src/api/cpp/CMakeFiles/gmxapi.dir/build.make src/api/cpp/CMakeFiles/gmxapi.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/CMakeFiles/gmxapi.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/CMakeFiles/gmx.dir/DependInfo.cmake --color= Scanning dependencies of target gmxapi make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/api/cpp/CMakeFiles/gmxapi.dir/build.make src/api/cpp/CMakeFiles/gmxapi.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/context.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/context.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/exceptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/exceptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/gmxapi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/gmxapi.cpp Scanning dependencies of target gmx make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmx.dir/gmx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/gmx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/md.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/md.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/mdmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/mdmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/mdsignals.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/mdsignals.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmx.dir/legacymodules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/legacymodules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmx.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/gmx.dir/gmx.cpp.o CMakeFiles/gmx.dir/legacymodules.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o CMakeFiles/view_objlib.dir/view/3dview.cpp.o CMakeFiles/view_objlib.dir/view/buttons.cpp.o CMakeFiles/view_objlib.dir/view/dialogs.cpp.o CMakeFiles/view_objlib.dir/view/fgrid.cpp.o CMakeFiles/view_objlib.dir/view/filter.cpp.o CMakeFiles/view_objlib.dir/view/logo.cpp.o CMakeFiles/view_objlib.dir/view/manager.cpp.o CMakeFiles/view_objlib.dir/view/molps.cpp.o CMakeFiles/view_objlib.dir/view/nleg.cpp.o CMakeFiles/view_objlib.dir/view/nmol.cpp.o CMakeFiles/view_objlib.dir/view/popup.cpp.o CMakeFiles/view_objlib.dir/view/pulldown.cpp.o CMakeFiles/view_objlib.dir/view/view.cpp.o CMakeFiles/view_objlib.dir/view/x11.cpp.o CMakeFiles/view_objlib.dir/view/xdlg.cpp.o CMakeFiles/view_objlib.dir/view/xdlghi.cpp.o CMakeFiles/view_objlib.dir/view/xdlgitem.cpp.o CMakeFiles/view_objlib.dir/view/xmb.cpp.o CMakeFiles/view_objlib.dir/view/xutil.cpp.o -o ../../bin/gmx_d ../../lib/libgromacs_d.so.5.0.0 /usr/lib/x86_64-linux-gnu/libX11.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/session.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/session.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/status.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/status.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 98%] Built target gmx cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/system.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/system.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/version.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/version.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/workflow.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/workflow.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -Dgmxapi_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi.dir/tpr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tpr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libgmxapi_d.so.0 -o ../../../lib/libgmxapi_d.so.0.1.0 CMakeFiles/gmxapi.dir/context.cpp.o CMakeFiles/gmxapi.dir/exceptions.cpp.o CMakeFiles/gmxapi.dir/gmxapi.cpp.o CMakeFiles/gmxapi.dir/md.cpp.o CMakeFiles/gmxapi.dir/mdmodule.cpp.o CMakeFiles/gmxapi.dir/mdsignals.cpp.o CMakeFiles/gmxapi.dir/session.cpp.o CMakeFiles/gmxapi.dir/status.cpp.o CMakeFiles/gmxapi.dir/system.cpp.o CMakeFiles/gmxapi.dir/version.cpp.o CMakeFiles/gmxapi.dir/workflow.cpp.o CMakeFiles/gmxapi.dir/tpr.cpp.o ../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libgmxapi_d.so.0.1.0 ../../../lib/libgmxapi_d.so.0 ../../../lib/libgmxapi_d.so make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [100%] Built target gmxapi make[2]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/CMakeFiles 0 make[1]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -j4 -C build/basic tests make[1]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/make -f CMakeFiles/Makefile2 tests make[2]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/CMakeFiles 76 /usr/bin/make -f CMakeFiles/Makefile2 CMakeFiles/tests.dir/all make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/CMakeFiles/release-version-info.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/gromacs-lj8Hdg/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/lmfit_objlib.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 0%] Built target lmfit_objlib [ 0%] Built target scanner /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/thread_mpi.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build [ 0%] Built target release-version-info /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend [ 2%] Built target thread_mpi /usr/bin/make -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/tng_io_obj.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color= [ 3%] Built target linearalgebra [ 3%] Built target tng_io_obj /usr/bin/make -f src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build.make src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/depend /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/external/googletest/googlemock/gtest /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/DependInfo.cmake --color= /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Nothing to be done for 'src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 5%] Built target modularsimulator make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color= [ 5%] Built target vmddlopen /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 5%] Built target mdrun_objlib make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build Scanning dependencies of target gtest make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build.make src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/external/googletest/googlemock/gtest && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_CREATE_SHARED_LIBRARY=1 -Dgtest_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wshadow -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=c++14 -o CMakeFiles/gtest.dir/src/gtest-all.cc.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/src/gtest-all.cc make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/libgromacs.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 65%] Built target libgromacs /usr/bin/make -f src/api/cpp/CMakeFiles/gmxapi.dir/build.make src/api/cpp/CMakeFiles/gmxapi.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/CMakeFiles/gmxapi.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/api/cpp/CMakeFiles/gmxapi.dir/build.make src/api/cpp/CMakeFiles/gmxapi.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Nothing to be done for 'src/api/cpp/CMakeFiles/gmxapi.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 67%] Built target gmxapi cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/external/googletest/googlemock/gtest && /usr/bin/cmake -E cmake_link_script CMakeFiles/gtest.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libgtest.so -o ../../../../../lib/libgtest.so CMakeFiles/gtest.dir/src/gtest-all.cc.o -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 67%] Built target gtest /usr/bin/make -f src/external/googletest/googlemock/CMakeFiles/gmock.dir/build.make src/external/googletest/googlemock/CMakeFiles/gmock.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/external/googletest/googlemock /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/external/googletest/googlemock/CMakeFiles/gmock.dir/DependInfo.cmake --color= Scanning dependencies of target gmock make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/external/googletest/googlemock/CMakeFiles/gmock.dir/build.make src/external/googletest/googlemock/CMakeFiles/gmock.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/external/googletest/googlemock && /usr/bin/c++ -DGMX_DOUBLE=0 -DGTEST_CAN_STREAM_RESULTS=0 -DGTEST_CREATE_SHARED_LIBRARY=1 -D_GNU_SOURCE=1 -Dgmock_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wshadow -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -Wno-deprecated-copy -std=c++14 -o CMakeFiles/gmock.dir/src/gmock-all.cc.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/src/gmock-all.cc cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/external/googletest/googlemock && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmock.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libgmock.so -o ../../../../lib/libgmock.so CMakeFiles/gmock.dir/src/gmock-all.cc.o -lpthread ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 67%] Built target gmock /usr/bin/make -f src/testutils/CMakeFiles/testutils.dir/build.make src/testutils/CMakeFiles/testutils.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/CMakeFiles/testutils.dir/DependInfo.cmake --color= Scanning dependencies of target testutils make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/testutils/CMakeFiles/testutils.dir/build.make src/testutils/CMakeFiles/testutils.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/cmdlinetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/cmdlinetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/conftest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/conftest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/filematchers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/filematchers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/interactivetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/interactivetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/loggertest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/loggertest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/mpi_printer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/mpi_printer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/mpitest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/mpitest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/refdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/refdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/refdata_xml.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/refdata_xml.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/simulationdatabase.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/stdiohelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/stdiohelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/stringtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/stringtest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testasserts.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testasserts.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testfilemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testfilemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testfileredirector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testfileredirector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testinit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testinit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testmatchers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testmatchers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/textblockmatchers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/textblockmatchers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/tprfilegenerator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tprfilegenerator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/xvgtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/xvgtest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/__/external/tinyxml2/tinyxml2.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tinyxml2/tinyxml2.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/cmake -P CMakeFiles/testutils.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils.dir/link.txt --verbose=1 /usr/bin/ar qc ../../lib/libtestutils.a CMakeFiles/testutils.dir/cmdlinetest.cpp.o CMakeFiles/testutils.dir/conftest.cpp.o CMakeFiles/testutils.dir/filematchers.cpp.o CMakeFiles/testutils.dir/interactivetest.cpp.o CMakeFiles/testutils.dir/loggertest.cpp.o CMakeFiles/testutils.dir/mpi_printer.cpp.o CMakeFiles/testutils.dir/mpitest.cpp.o CMakeFiles/testutils.dir/refdata.cpp.o CMakeFiles/testutils.dir/refdata_xml.cpp.o CMakeFiles/testutils.dir/simulationdatabase.cpp.o CMakeFiles/testutils.dir/stdiohelper.cpp.o CMakeFiles/testutils.dir/stringtest.cpp.o CMakeFiles/testutils.dir/testasserts.cpp.o CMakeFiles/testutils.dir/testfilemanager.cpp.o CMakeFiles/testutils.dir/testfileredirector.cpp.o CMakeFiles/testutils.dir/testinit.cpp.o CMakeFiles/testutils.dir/testmatchers.cpp.o CMakeFiles/testutils.dir/testoptions.cpp.o CMakeFiles/testutils.dir/textblockmatchers.cpp.o CMakeFiles/testutils.dir/tprfilegenerator.cpp.o CMakeFiles/testutils.dir/xvgtest.cpp.o CMakeFiles/testutils.dir/__/external/tinyxml2/tinyxml2.cpp.o /usr/bin/ranlib ../../lib/libtestutils.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 68%] Built target testutils /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/depend /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/depend /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/depend /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests/CMakeFiles/testutils-test.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/DependInfo.cmake --color= Scanning dependencies of target utility-mpi-test Scanning dependencies of target testutils-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/mpitest.cpp Scanning dependencies of target testutils-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/interactivetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/interactivetest.cpp Scanning dependencies of target mdrun_test_infrastructure make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/energyreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/energycomparison.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-mpi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-mpi-test ../../../lib/libtestutils.a ../../../lib/libgromacs.so.5.0.0 ../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-mpi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-mpi-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 69%] Built target testutils-mpi-test /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/CMakeFiles/utility-test.dir/DependInfo.cmake --color= Scanning dependencies of target utility-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/alignedallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/alignedallocator.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 71%] Built target utility-mpi-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/arrayref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/arrayref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/refdata_tests.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/moduletest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/mdmodulenotification.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/mdmodulenotification.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/terminationhelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/testasserts_tests.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/trajectorycomparison.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask32.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/bitmask32.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/xvgtest_tests.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/trajectoryreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/trajectoryreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-test.dir/interactivetest.cpp.o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-test ../../../lib/libtestutils.a ../../../lib/libgromacs.so.5.0.0 ../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 71%] Built target testutils-test /usr/bin/make -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdlib-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/calc_verletbuf.cpp /usr/bin/make -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/DependInfo.cmake --color= Scanning dependencies of target applied_forces-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfitting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -P CMakeFiles/mdrun_test_infrastructure.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun_test_infrastructure.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libmdrun_test_infrastructure.a CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/mdmodulenotification.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectoryreader.cpp.o /usr/bin/ranlib ../../../../lib/libmdrun_test_infrastructure.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 71%] Built target mdrun_test_infrastructure /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/DependInfo.cmake --color= Scanning dependencies of target onlinehelp-test-shared make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/mock_helptopic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/constr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/cmake -P CMakeFiles/onlinehelp-test-shared.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libonlinehelp-test-shared.a CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o /usr/bin/ranlib ../../../../lib/libonlinehelp-test-shared.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 71%] Built target onlinehelp-test-shared /usr/bin/make -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/domdec/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/DependInfo.cmake --color= Scanning dependencies of target domdec-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/tests/hashedmap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/tests/localatomsetmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingamplitudelookup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/domdec-test.dir/hashedmap.cpp.o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/domdec-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 71%] Built target domdec-test /usr/bin/make -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/DependInfo.cmake --color= Scanning dependencies of target ewald-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmebsplinetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestrunners.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/electricfield.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/ebin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/ebin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/energyoutput.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/applied_forces-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmegathertest.cpp [ 71%] Built target applied_forces-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmesolvetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/expanded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/expanded.cpp /usr/bin/make -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fft/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask64.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/bitmask64.cpp Scanning dependencies of target fft-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fft/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fft/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/fft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/tests/fft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmesplinespreadtest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask128.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/bitmask128.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fft/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fft/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fft/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fft-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/fft-test.dir/fft.cpp.o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fft-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 72%] Built target fft-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmetestcommon.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/cstringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/cstringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/testhardwarecontexts.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestrunners.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/defaultinitializationallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/enumerationhelpers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/settle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/ewald/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/ewald-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/ewald-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/fixedcapacityvector.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 72%] Built target ewald-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/inmemoryserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/settletestdata.cpp /usr/bin/make -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/DependInfo.cmake --color= Scanning dependencies of target gpu_utils-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/gputest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/gputest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/clfftinitializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/hostallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/settletestrunners.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreeserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreetransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/shake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/shake.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/simulationsignal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/devicetransfers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/logger.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/logger.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroups.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/updategroups.cpp /usr/bin/make -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/hardware/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/DependInfo.cmake --color= Scanning dependencies of target hardware-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/hardware/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/tests/hardwaretopology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/mutex.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/mutex.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/updategroupscog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/hardware/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/hardware/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/hardware-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/hardware-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 72%] Built target hardware-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/path.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/path.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlib-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o CMakeFiles/mdlib-test.dir/constr.cpp.o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o CMakeFiles/mdlib-test.dir/ebin.cpp.o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o CMakeFiles/mdlib-test.dir/expanded.cpp.o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o CMakeFiles/mdlib-test.dir/settle.cpp.o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o CMakeFiles/mdlib-test.dir/shake.cpp.o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o CMakeFiles/mdlib-test.dir/updategroups.cpp.o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdlib-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 73%] Built target mdlib-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator.cpp /usr/bin/make -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/CMakeFiles/math-test.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/stringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/stringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/textreader.cpp Scanning dependencies of target math-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/arrayrefwithpadding.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/coordinatetransformation.cpp /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/DependInfo.cmake --color= Scanning dependencies of target mdrunutility-test-shared make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinitytest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gpu_utils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gpu_utils-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/gpu_utils-test.dir/gputest.cpp.o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gpu_utils-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 75%] Built target gpu_utils-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/densityfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/textwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/cmake -P CMakeFiles/mdrunutility-test-shared.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test-shared.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libmdrunutility-test-shared.a CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o /usr/bin/ranlib ../../../../lib/libmdrunutility-test-shared.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 75%] Built target mdrunutility-test-shared cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/typetraits.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/typetraits.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/dofit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/dofit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/exponentialmovingaverage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-test.dir/alignedallocator.cpp.o CMakeFiles/utility-test.dir/arrayref.cpp.o CMakeFiles/utility-test.dir/bitmask32.cpp.o CMakeFiles/utility-test.dir/bitmask64.cpp.o CMakeFiles/utility-test.dir/bitmask128.cpp.o CMakeFiles/utility-test.dir/cstringutil.cpp.o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o CMakeFiles/utility-test.dir/logger.cpp.o CMakeFiles/utility-test.dir/mutex.cpp.o CMakeFiles/utility-test.dir/path.cpp.o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o CMakeFiles/utility-test.dir/stringutil.cpp.o CMakeFiles/utility-test.dir/textreader.cpp.o CMakeFiles/utility-test.dir/textwriter.cpp.o CMakeFiles/utility-test.dir/typetraits.cpp.o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/functions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/functions.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 76%] Built target utility-test /usr/bin/make -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdspan-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/accessor_policy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/gausstransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/gausstransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfittingforce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/densityfittingforce.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extents.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/extents.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/invertmatrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/invertmatrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/matrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/matrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extensions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/extensions.cpp /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/DependInfo.cmake --color= Scanning dependencies of target onlinehelp-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/multidimarray.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/multidimarray.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/layouts.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/layouts.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/mdspan.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/mdspan.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/paddedvector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/paddedvector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/vectypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/vectypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpwritercontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/onlinehelp-test ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 76%] Built target onlinehelp-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests/CMakeFiles/options-test.dir/DependInfo.cmake --color= Scanning dependencies of target options-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/abstractoptionstorage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/filenameoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdspan/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdspan-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o CMakeFiles/mdspan-test.dir/extents.cpp.o CMakeFiles/mdspan-test.dir/extensions.cpp.o CMakeFiles/mdspan-test.dir/layouts.cpp.o CMakeFiles/mdspan-test.dir/mdspan.cpp.o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdspan-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 76%] Built target mdspan-test /usr/bin/make -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/DependInfo.cmake --color= Scanning dependencies of target pbcutil-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/tests/pbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/filenameoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/tests/pbcenums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pbcutil/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pbcutil-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/pbcutil-test.dir/pbc.cpp.o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pbcutil-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 76%] Built target pbcutil-test /usr/bin/make -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests/CMakeFiles/random-test.dir/DependInfo.cmake --color= Scanning dependencies of target random-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/exponentialdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/exponentialdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/gammadistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/gammadistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/math/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/math-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o CMakeFiles/math-test.dir/densityfit.cpp.o CMakeFiles/math-test.dir/dofit.cpp.o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o CMakeFiles/math-test.dir/functions.cpp.o CMakeFiles/math-test.dir/gausstransform.cpp.o CMakeFiles/math-test.dir/densityfittingforce.cpp.o CMakeFiles/math-test.dir/invertmatrix.cpp.o CMakeFiles/math-test.dir/matrix.cpp.o CMakeFiles/math-test.dir/multidimarray.cpp.o CMakeFiles/math-test.dir/paddedvector.cpp.o CMakeFiles/math-test.dir/vectypes.cpp.o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/math-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 77%] Built target math-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/normaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/normaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/option.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/option.cpp /usr/bin/make -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/restraint/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/DependInfo.cmake --color= Scanning dependencies of target restraintpotential-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/restraint/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/manager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/tests/manager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/optionsassigner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/optionsassigner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/restraint/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/repeatingsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/repeatingsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/seed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/seed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/restraintpotential-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/restraintpotential-test.dir/manager.cpp.o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/restraintpotential-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 78%] Built target restraintpotential-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/timeunitmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/timeunitmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/tabulatednormaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/threefry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/threefry.cpp /usr/bin/make -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tables/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tables/tests/CMakeFiles/table-test.dir/DependInfo.cmake --color= Scanning dependencies of target table-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tables/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tables/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/splinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/tests/splinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/uniformintdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/treesupport.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/treesupport.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/uniformrealdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tables/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tables/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/taskassignment/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/DependInfo.cmake --color= Scanning dependencies of target taskassignment-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/taskassignment/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/tests/usergpuids.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/random/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/random-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/random-test.dir/exponentialdistribution.cpp.o CMakeFiles/random-test.dir/gammadistribution.cpp.o CMakeFiles/random-test.dir/normaldistribution.cpp.o CMakeFiles/random-test.dir/seed.cpp.o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o CMakeFiles/random-test.dir/threefry.cpp.o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/random-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 78%] Built target random-test /usr/bin/make -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/topology/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/topology/tests/CMakeFiles/topology-test.dir/DependInfo.cmake --color= Scanning dependencies of target topology-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/exclusionblocks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests/exclusionblocks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/mtop.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests/mtop.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/options/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/options-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o CMakeFiles/options-test.dir/filenameoption.cpp.o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o CMakeFiles/options-test.dir/option.cpp.o CMakeFiles/options-test.dir/optionsassigner.cpp.o CMakeFiles/options-test.dir/repeatingsection.cpp.o CMakeFiles/options-test.dir/timeunitmanager.cpp.o CMakeFiles/options-test.dir/treesupport.cpp.o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/options-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 80%] Built target options-test /usr/bin/make -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pulling/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/DependInfo.cmake --color= Scanning dependencies of target pull-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pulling/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/pull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/tests/pull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/symtab.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests/symtab.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/taskassignment/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pulling/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tables/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/table-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/table-test.dir/splinetable.cpp.o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/table-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/taskassignment/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/taskassignment-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/taskassignment-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 81%] Built target table-test /usr/bin/make -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/awh/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/awh/tests/CMakeFiles/awh-test.dir/DependInfo.cmake --color= Scanning dependencies of target awh-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/bias.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests/bias.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 81%] Built target taskassignment-test /usr/bin/make -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/CMakeFiles/simd-test.dir/DependInfo.cmake --color= Scanning dependencies of target simd-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/bootstrap_loadstore.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/pulling/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pull-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/pull-test.dir/pull.cpp.o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pull-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 81%] Built target pull-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests/biasstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/base.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/base.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/topology-test.dir/exclusionblocks.cpp.o CMakeFiles/topology-test.dir/mtop.cpp.o CMakeFiles/topology-test.dir/symtab.cpp.o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/topology-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 81%] Built target topology-test /usr/bin/make -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/compat/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/compat/tests/CMakeFiles/compat-test.dir/DependInfo.cmake --color= Scanning dependencies of target compat-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-unused-member-function -o CMakeFiles/compat-test.dir/optional.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests/optional.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests/grid.cpp /usr/bin/make -f src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build.make src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/DependInfo.cmake --color= Scanning dependencies of target gmxana-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build.make src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/entropy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/tests/entropy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/awh-test.dir/bias.cpp.o CMakeFiles/awh-test.dir/biasstate.cpp.o CMakeFiles/awh-test.dir/grid.cpp.o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/awh-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/gmx_traj.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/tests/gmx_traj.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 82%] Built target awh-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/tests/gmx_mindist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests/pointers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/gmx_msd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/tests/gmx_msd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_vector_operations.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_math.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/string_view.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests/string_view.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxana-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxana-test.dir/entropy.cpp.o CMakeFiles/gmxana-test.dir/gmx_traj.cpp.o CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o CMakeFiles/gmxana-test.dir/gmx_msd.cpp.o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gmxana-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_memory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_memory.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 84%] Built target gmxana-test /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/DependInfo.cmake --color= Scanning dependencies of target pdb2gmx3-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=1 -DCHARMM=1 -DGMX_DOUBLE=0 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=1 -DCHARMM=1 -DGMX_DOUBLE=0 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx3-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx3-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 85%] Built target pdb2gmx3-test /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/DependInfo.cmake --color= Scanning dependencies of target pdb2gmx2-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_integer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_integer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/compat/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/compat-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/compat-test.dir/optional.cpp.o CMakeFiles/compat-test.dir/pointers.cpp.o CMakeFiles/compat-test.dir/string_view.cpp.o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/compat-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/DependInfo.cmake --color= [ 85%] Built target compat-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4_floatingpoint.cpp Scanning dependencies of target pdb2gmx1-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=0 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/DependInfo.cmake --color= Scanning dependencies of target gmxpreprocess-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/editconf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx2-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx2-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 85%] Built target pdb2gmx2-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/genconf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4_vector_operations.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/genion.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_math.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4_math.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/genrestr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/scalar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx1-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx1-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread /usr/bin/make -f src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/build.make src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/DependInfo.cmake --color= Scanning dependencies of target correlations-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/build.make src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/autocorr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/tests/autocorr.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 85%] Built target pdb2gmx1-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/tests/manyautocorrelation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/gpp_atomtype.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/gpp_bond_atomtype.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/correlationdataset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/tests/correlationdataset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/expfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/tests/expfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/insert_molecules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/scalar_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/readir.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/correlationfunctions/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/correlations-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/correlations-test.dir/autocorr.cpp.o CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o CMakeFiles/correlations-test.dir/correlationdataset.cpp.o CMakeFiles/correlations-test.dir/expfit.cpp.o CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/correlations-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread /usr/bin/make -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/DependInfo.cmake --color= Scanning dependencies of target analysisdata-test-shared make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/analysisdata-test-shared.dir/datatest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/datatest.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 86%] Built target correlations-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/solvate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_math.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/scalar_math.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/topdirs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/topdirs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/mock_datamodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build.make src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/DependInfo.cmake --color= Scanning dependencies of target coordinateio-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build.make src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/builder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/builder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxpreprocess-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o CMakeFiles/gmxpreprocess-test.dir/topdirs.cpp.o CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gmxpreprocess-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 86%] Built target gmxpreprocess-test /usr/bin/make -f src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build.make src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/DependInfo.cmake --color= Scanning dependencies of target energyanalysis-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build.make src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/energyanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/legacyenergy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/simd/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/simd-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o CMakeFiles/simd-test.dir/base.cpp.o CMakeFiles/simd-test.dir/simd.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd_math.cpp.o CMakeFiles/simd-test.dir/simd_memory.cpp.o CMakeFiles/simd-test.dir/simd_integer.cpp.o CMakeFiles/simd-test.dir/simd4.cpp.o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd4_math.cpp.o CMakeFiles/simd-test.dir/scalar.cpp.o CMakeFiles/simd-test.dir/scalar_util.cpp.o CMakeFiles/simd-test.dir/scalar_math.cpp.o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/simd-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/energyanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 88%] Built target simd-test /usr/bin/make -f src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build.make src/gromacs/tools/tests/CMakeFiles/tool-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/CMakeFiles/tool-test.dir/DependInfo.cmake --color= Scanning dependencies of target tool-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build.make src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/dump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/tests/dump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/energyanalysis-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/energyanalysis-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 88%] Built target energyanalysis-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/report_methods.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/tests/report_methods.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/outputadaptercontainer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/trjconv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/tests/trjconv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/outputadapters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/requirements.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/requirements.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/tool-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/tool-test.dir/dump.cpp.o CMakeFiles/tool-test.dir/report_methods.cpp.o CMakeFiles/tool-test.dir/trjconv.cpp.o CMakeFiles/tool-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/tool-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/setatoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/setatoms.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 88%] Built target tool-test /usr/bin/make -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/DependInfo.cmake --color= Scanning dependencies of target fileio-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/confio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/confio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/cmake -P CMakeFiles/analysisdata-test-shared.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/analysisdata-test-shared.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libanalysisdata-test-shared.a CMakeFiles/analysisdata-test-shared.dir/datatest.cpp.o CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o /usr/bin/ranlib ../../../../lib/libanalysisdata-test-shared.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 88%] Built target analysisdata-test-shared /usr/bin/make -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests/CMakeFiles/selection-test.dir/DependInfo.cmake --color= Scanning dependencies of target selection-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/indexutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/indexutil.cpp /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun-modules-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/densityfittingmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/filemd5.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/filemd5.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/mrcserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/interactiveMD.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/nbsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/nbsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/setbothtime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/mimic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/setstarttime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-modules-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-modules-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymapheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/poscalc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/poscalc.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 89%] Built target mdrun-modules-test /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun-tpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/tpitest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/settimestep.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/settimestep.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/testmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/testmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectioncollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/selectioncollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/readinp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/readinp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/coordinateio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/coordinateio-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/coordinateio-test.dir/builder.cpp.o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o CMakeFiles/coordinateio-test.dir/requirements.cpp.o CMakeFiles/coordinateio-test.dir/setatoms.cpp.o CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o CMakeFiles/coordinateio-test.dir/settimestep.cpp.o CMakeFiles/coordinateio-test.dir/testmodule.cpp.o CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/coordinateio-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-tpi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-tpi-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 89%] Built target coordinateio-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/fileioxdrserializer.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 89%] Built target mdrun-tpi-test /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/dispersion_correction.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/dispersion_correction.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectionoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/selectionoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/tngio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/tngio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/orires.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/orires.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/pmetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/pmetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/fileio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileio-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/fileio-test.dir/confio.cpp.o CMakeFiles/fileio-test.dir/filemd5.cpp.o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o CMakeFiles/fileio-test.dir/readinp.cpp.o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o CMakeFiles/fileio-test.dir/tngio.cpp.o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fileio-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 89%] Built target fileio-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/toputils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/toputils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/simulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/simulator.cpp Scanning dependencies of target mdrun-output-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/compressed_x_output.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/helpwriting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/outputfiles.cpp /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun-non-integrator-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/minimize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/minimize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/swapcoords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/swapcoords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/tabulated_bonded_interactions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/selection-test.dir/indexutil.cpp.o CMakeFiles/selection-test.dir/nbsearch.cpp.o CMakeFiles/selection-test.dir/poscalc.cpp.o CMakeFiles/selection-test.dir/selectioncollection.cpp.o CMakeFiles/selection-test.dir/selectionoption.cpp.o CMakeFiles/selection-test.dir/toputils.cpp.o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/selection-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/trajectory_writing.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 90%] Built target selection-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/domain_decomposition.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/nonbonded_bench.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/minimize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/minimize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-test.dir/dispersion_correction.cpp.o CMakeFiles/mdrun-test.dir/orires.cpp.o CMakeFiles/mdrun-test.dir/pmetest.cpp.o CMakeFiles/mdrun-test.dir/simulator.cpp.o CMakeFiles/mdrun-test.dir/swapcoords.cpp.o CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-output-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o CMakeFiles/mdrun-output-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-output-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 92%] Built target mdrun-test /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun-io-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/exactcontinuation.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 92%] Built target mdrun-output-test /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun-mpi-coordination-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-coordination-test.dir/periodicactions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/periodicactions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/normalmodes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/rerun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/mimic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-coordination-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/grompp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/grompp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/multisim.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/multisim.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-coordination-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-mpi-coordination-test.dir/periodicactions.cpp.o CMakeFiles/mdrun-mpi-coordination-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-coordination-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 92%] Built target mdrun-mpi-coordination-test /usr/bin/make -f src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/build.make src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/initialconstraints.cpp Scanning dependencies of target gmxapi-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/build.make src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/restraint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/multisimtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/multisimtest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/simple_mdrun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/status.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/termination.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/termination.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/pmetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/pmetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/system.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/system.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/version.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/replicaexchange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/replicaexchange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-non-integrator-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-non-integrator-test.dir/minimize.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-non-integrator-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/runner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 93%] Built target mdrun-non-integrator-test /usr/bin/make -f src/api/cpp/tests/CMakeFiles/gmxapi-test.dir/build.make src/api/cpp/tests/CMakeFiles/gmxapi-test.dir/depend cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-io-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o CMakeFiles/mdrun-io-test.dir/grompp.cpp.o CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o CMakeFiles/mdrun-io-test.dir/termination.cpp.o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-io-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/CMakeFiles/gmxapi-test.dir/DependInfo.cmake --color= Scanning dependencies of target gmxapi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/api/cpp/tests/CMakeFiles/gmxapi-test.dir/build.make src/api/cpp/tests/CMakeFiles/gmxapi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/restraint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/restraint.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 93%] Built target mdrun-io-test /usr/bin/make -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/workflow/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/DependInfo.cmake --color= Scanning dependencies of target workflow-details-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-mpi-test.dir/workflow.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/workflow/tests/workflow.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-test.dir/link.txt --verbose=1 cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/stopsignaler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/stopsignaler.cpp /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o CMakeFiles/mdrun-mpi-test.dir/minimize.cpp.o CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o CMakeFiles/mdrun-mpi-test.dir/multisim.cpp.o CMakeFiles/mdrun-mpi-test.dir/multisimtest.cpp.o CMakeFiles/mdrun-mpi-test.dir/pmetest.cpp.o CMakeFiles/mdrun-mpi-test.dir/replicaexchange.cpp.o CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/status.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/status.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 93%] Built target mdrun-mpi-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/system.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/system.cpp /usr/bin/make -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/workflow/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/DependInfo.cmake --color= Scanning dependencies of target workflow-details-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-test.dir/workflow.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/workflow/tests/workflow.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/version.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/version.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-mpi-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-mpi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/workflow-details-mpi-test.dir/workflow.cpp.o CMakeFiles/workflow-details-mpi-test.dir/__/__/__/__/testutils/unittest_main.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-mpi-test ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi.so.0.1.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../../lib/libgmock.so ../../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 93%] Built target workflow-details-mpi-test /usr/bin/make -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp Scanning dependencies of target commandline-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-mpi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o CMakeFiles/gmxapi-mpi-test.dir/system.cpp.o CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o CMakeFiles/gmxapi-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o CMakeFiles/gmxapi-mpi-test.dir/stopsignaler.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-mpi-test ../../../../lib/libtestutils.a ../../../../lib/libgmxapi.so.0.1.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/runner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/runner.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 93%] Built target gmxapi-mpi-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/stopsignaler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/workflow-details-test.dir/workflow.cpp.o CMakeFiles/workflow-details-test.dir/__/__/__/__/testutils/unittest_main.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-test ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi.so.0.1.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../../lib/libgmock.so ../../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 94%] Built target workflow-details-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxapi-test.dir/restraint.cpp.o CMakeFiles/gmxapi-test.dir/status.cpp.o CMakeFiles/gmxapi-test.dir/system.cpp.o CMakeFiles/gmxapi-test.dir/version.cpp.o CMakeFiles/gmxapi-test.dir/__/__/__/testutils/unittest_main.cpp.o CMakeFiles/gmxapi-test.dir/runner.cpp.o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-test ../../../../lib/libtestutils.a ../../../../lib/libgmxapi.so.0.1.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrunutility-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity_mpi.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 96%] Built target gmxapi-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanagertest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineprogramcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-mpi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-mpi-test ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 97%] Built target mdrunutility-mpi-test /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrunutility-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/filenm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/filenm.cpp /usr/bin/make -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/DependInfo.cmake --color= Scanning dependencies of target analysisdata-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/analysisdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/analysisdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/pargs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/pargs.cpp /usr/bin/make -f src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/build.make src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/DependInfo.cmake --color= Scanning dependencies of target trajectoryanalysis-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/build.make src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/moduletest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/clustsize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-test ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 97%] Built target mdrunutility-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/arraydata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/arraydata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/cmdlinerunner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/cmdlinerunner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/commandline/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/commandline-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o CMakeFiles/commandline-test.dir/filenm.cpp.o CMakeFiles/commandline-test.dir/pargs.cpp.o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/commandline-test ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 98%] Built target commandline-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/angle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/angle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/convert_trj.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/convert_trj.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/average.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/average.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/histogram.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/histogram.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/lifetime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/lifetime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/distance.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/distance.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/extract_cluster.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/extract_cluster.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/analysisdata/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/analysisdata-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/analysisdata-test.dir/analysisdata.cpp.o CMakeFiles/analysisdata-test.dir/arraydata.cpp.o CMakeFiles/analysisdata-test.dir/average.cpp.o CMakeFiles/analysisdata-test.dir/histogram.cpp.o CMakeFiles/analysisdata-test.dir/lifetime.cpp.o CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/analysisdata-test ../../../../lib/libtestutils.a ../../../../lib/libanalysisdata-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [ 98%] Built target analysisdata-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/pairdist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/pairdist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/rdf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/rdf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/sasa.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/sasa.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/select.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/select.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/surfacearea.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/surfacearea.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/topologyinformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/topologyinformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/trajectory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/trajectory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/unionfind.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/trajectoryanalysis-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o CMakeFiles/trajectoryanalysis-test.dir/clustsize.cpp.o CMakeFiles/trajectoryanalysis-test.dir/cmdlinerunner.cpp.o CMakeFiles/trajectoryanalysis-test.dir/angle.cpp.o CMakeFiles/trajectoryanalysis-test.dir/convert_trj.cpp.o CMakeFiles/trajectoryanalysis-test.dir/distance.cpp.o CMakeFiles/trajectoryanalysis-test.dir/extract_cluster.cpp.o CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o CMakeFiles/trajectoryanalysis-test.dir/pairdist.cpp.o CMakeFiles/trajectoryanalysis-test.dir/rdf.cpp.o CMakeFiles/trajectoryanalysis-test.dir/sasa.cpp.o CMakeFiles/trajectoryanalysis-test.dir/select.cpp.o CMakeFiles/trajectoryanalysis-test.dir/surfacearea.cpp.o CMakeFiles/trajectoryanalysis-test.dir/topologyinformation.cpp.o CMakeFiles/trajectoryanalysis-test.dir/trajectory.cpp.o CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/trajectoryanalysis-test ../../../../lib/libtestutils.a ../../../../lib/libanalysisdata-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [100%] Built target trajectoryanalysis-test /usr/bin/make -f CMakeFiles/tests.dir/build.make CMakeFiles/tests.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/CMakeFiles/tests.dir/DependInfo.cmake --color= Scanning dependencies of target tests make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/make -f CMakeFiles/tests.dir/build.make CMakeFiles/tests.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[4]: Nothing to be done for 'CMakeFiles/tests.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' [100%] Built target tests make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/CMakeFiles 0 make[2]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' make[1]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic' (cd build/basic; LD_LIBRARY_PATH=/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/lib ctest -V || dpkg-architecture -i hurd-i386 ) UpdateCTestConfiguration from :/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/DartConfiguration.tcl Parse Config file:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/DartConfiguration.tcl UpdateCTestConfiguration from :/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/DartConfiguration.tcl Parse Config file:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/DartConfiguration.tcl Test project /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic Constructing a list of tests Done constructing a list of tests Updating test list for fixtures Added 0 tests to meet fixture requirements Checking test dependency graph... Checking test dependency graph end test 1 Start 1: TestUtilsUnitTests 1: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/testutils-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/TestUtilsUnitTests.xml" 1: Test timeout computed to be: 30 1: [==========] Running 59 tests from 5 test cases. 1: [----------] Global test environment set-up. 1: [----------] 10 tests from InteractiveTestHelperTest 1: [ RUN ] InteractiveTestHelperTest.ChecksSimpleSession 1: [ OK ] InteractiveTestHelperTest.ChecksSimpleSession (29 ms) 1: [ RUN ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline 1: [ OK ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline (1 ms) 1: [ RUN ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput 1: [ OK ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput 1: [ OK ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsIncorrectOutput 1: [ OK ] InteractiveTestHelperTest.DetectsIncorrectOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsMissingOutput 1: [ OK ] InteractiveTestHelperTest.DetectsMissingOutput (0 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsMissingFinalOutput 1: [ OK ] InteractiveTestHelperTest.DetectsMissingFinalOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsExtraOutput 1: [ OK ] InteractiveTestHelperTest.DetectsExtraOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsMissingInput 1: [ OK ] InteractiveTestHelperTest.DetectsMissingInput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsExtraInput 1: [ OK ] InteractiveTestHelperTest.DetectsExtraInput (0 ms) 1: [----------] 10 tests from InteractiveTestHelperTest (36 ms total) 1: 1: [----------] 34 tests from ReferenceDataTest 1: [ RUN ] ReferenceDataTest.HandlesSimpleData 1: [ OK ] ReferenceDataTest.HandlesSimpleData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesFloatingPointData 1: [ OK ] ReferenceDataTest.HandlesFloatingPointData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesPresenceChecks 1: [ OK ] ReferenceDataTest.HandlesPresenceChecks (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesStringBlockData 1: [ OK ] ReferenceDataTest.HandlesStringBlockData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesVectorData 1: [ OK ] ReferenceDataTest.HandlesVectorData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSequenceData 1: [ OK ] ReferenceDataTest.HandlesSequenceData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesSequenceOfCustomData 1: [ OK ] ReferenceDataTest.HandlesSequenceOfCustomData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesIncorrectData 1: [ OK ] ReferenceDataTest.HandlesIncorrectData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesIncorrectDataType 1: [ OK ] ReferenceDataTest.HandlesIncorrectDataType (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesMissingData 1: [ OK ] ReferenceDataTest.HandlesMissingData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUncheckedData 1: [ OK ] ReferenceDataTest.HandlesUncheckedData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUncheckedDataInSequence 1: [ OK ] ReferenceDataTest.HandlesUncheckedDataInSequence (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUncheckedDataInCompound 1: [ OK ] ReferenceDataTest.HandlesUncheckedDataInCompound (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesAnys 1: [ OK ] ReferenceDataTest.HandlesAnys (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesKeyValueTree 1: [ OK ] ReferenceDataTest.HandlesKeyValueTree (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesKeyValueTreeExtraKey 1: [ OK ] ReferenceDataTest.HandlesKeyValueTreeExtraKey (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesKeyValueTreeMissingKey 1: [ OK ] ReferenceDataTest.HandlesKeyValueTreeMissingKey (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesAnysWithIncorrectValue 1: [ OK ] ReferenceDataTest.HandlesAnysWithIncorrectValue (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesAnysWithIncorrectType 1: [ OK ] ReferenceDataTest.HandlesAnysWithIncorrectType (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesMissingReferenceDataFile 1: [ OK ] ReferenceDataTest.HandlesMissingReferenceDataFile (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSpecialCharactersInStrings 1: [ OK ] ReferenceDataTest.HandlesSpecialCharactersInStrings (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace 1: [ OK ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesEmptyStrings 1: [ OK ] ReferenceDataTest.HandlesEmptyStrings (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesEmbeddedCdataEndTagInTextBlock 1: [ OK ] ReferenceDataTest.HandlesEmbeddedCdataEndTagInTextBlock (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSequenceItemIndices 1: [ OK ] ReferenceDataTest.HandlesSequenceItemIndices (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesMultipleChecksAgainstSameData 1: [ OK ] ReferenceDataTest.HandlesMultipleChecksAgainstSameData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesMultipleNullIds 1: [ OK ] ReferenceDataTest.HandlesMultipleNullIds (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds 1: [ OK ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesReadingValues 1: [ OK ] ReferenceDataTest.HandlesReadingValues (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithoutChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithoutChanges (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries (1 ms) 1: [----------] 34 tests from ReferenceDataTest (19 ms total) 1: 1: [----------] 7 tests from FloatingPointDifferenceTest 1: [ RUN ] FloatingPointDifferenceTest.HandlesEqualValues 1: [ OK ] FloatingPointDifferenceTest.HandlesEqualValues (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesFloatValues 1: [ OK ] FloatingPointDifferenceTest.HandlesFloatValues (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesZerosOfDifferentSign 1: [ OK ] FloatingPointDifferenceTest.HandlesZerosOfDifferentSign (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesSignComparisonWithZero 1: [ OK ] FloatingPointDifferenceTest.HandlesSignComparisonWithZero (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesUlpDifferences 1: [ OK ] FloatingPointDifferenceTest.HandlesUlpDifferences (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesUlpDifferenceAcrossZero 1: [ OK ] FloatingPointDifferenceTest.HandlesUlpDifferenceAcrossZero (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesNaN 1: [ OK ] FloatingPointDifferenceTest.HandlesNaN (0 ms) 1: [----------] 7 tests from FloatingPointDifferenceTest (0 ms total) 1: 1: [----------] 4 tests from FloatingPointToleranceTest 1: [ RUN ] FloatingPointToleranceTest.UlpTolerance 1: [ OK ] FloatingPointToleranceTest.UlpTolerance (0 ms) 1: [ RUN ] FloatingPointToleranceTest.RelativeToleranceAsFloatingPoint 1: [ OK ] FloatingPointToleranceTest.RelativeToleranceAsFloatingPoint (0 ms) 1: [ RUN ] FloatingPointToleranceTest.RelativeToleranceAsUlp 1: [ OK ] FloatingPointToleranceTest.RelativeToleranceAsUlp (0 ms) 1: [ RUN ] FloatingPointToleranceTest.DefaultFloatTolerance 1: [ OK ] FloatingPointToleranceTest.DefaultFloatTolerance (0 ms) 1: [----------] 4 tests from FloatingPointToleranceTest (0 ms total) 1: 1: [----------] 4 tests from XvgTests 1: [ RUN ] XvgTests.CreateFile 1: [ OK ] XvgTests.CreateFile (1 ms) 1: [ RUN ] XvgTests.CheckMissing 1: [ OK ] XvgTests.CheckMissing (1 ms) 1: [ RUN ] XvgTests.CheckExtra 1: [ OK ] XvgTests.CheckExtra (1 ms) 1: [ RUN ] XvgTests.ReadIncorrect 1: [ OK ] XvgTests.ReadIncorrect (1 ms) 1: [----------] 4 tests from XvgTests (4 ms total) 1: 1: [----------] Global test environment tear-down 1: [==========] 59 tests from 5 test cases ran. (59 ms total) 1: [ PASSED ] 59 tests. 1/54 Test #1: TestUtilsUnitTests .................. Passed 0.32 sec test 2 Start 2: TestUtilsMpiUnitTests 2: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/testutils-mpi-test "-ntmpi" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/TestUtilsMpiUnitTests.xml" 2: Test timeout computed to be: 30 2: [==========] Running 1 test from 1 test case. 2: [----------] Global test environment set-up. 2: [----------] 1 test from MpiSelfTest 2: [ RUN ] MpiSelfTest.Runs 2: [ OK ] MpiSelfTest.Runs (0 ms) 2: [----------] 1 test from MpiSelfTest (0 ms total) 2: 2: [----------] Global test environment tear-down 2: [==========] 1 test from 1 test case ran. (0 ms total) 2: [ PASSED ] 1 test. 2/54 Test #2: TestUtilsMpiUnitTests ............... Passed 0.03 sec test 3 Start 3: UtilityUnitTests 3: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/utility-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/UtilityUnitTests.xml" 3: Test timeout computed to be: 30 3: [==========] Running 347 tests from 56 test cases. 3: [----------] Global test environment set-up. 3: [----------] 5 tests from AllocatorTest/0, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/0.Move 3: [ OK ] AllocatorTest/0.Move (0 ms) 3: [ RUN ] AllocatorTest/0.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/0.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/0 (1 ms total) 3: 3: [----------] 5 tests from AllocatorTest/1, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/1.Move 3: [ OK ] AllocatorTest/1.Move (0 ms) 3: [ RUN ] AllocatorTest/1.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/1.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/1 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/2, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/2.Move 3: [ OK ] AllocatorTest/2.Move (0 ms) 3: [ RUN ] AllocatorTest/2.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/2.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/2 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/3, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/3.Move 3: [ OK ] AllocatorTest/3.Move (0 ms) 3: [ RUN ] AllocatorTest/3.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/3.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/3 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/4, where TypeParam = gmx::Allocator, gmx::AlignedAllocationPolicy> 3: [ RUN ] AllocatorTest/4.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/4.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/4.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/4.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/4.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/4.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/4.Move 3: [ OK ] AllocatorTest/4.Move (0 ms) 3: [ RUN ] AllocatorTest/4.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/4.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/4 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/5, where TypeParam = gmx::Allocator, gmx::PageAlignedAllocationPolicy> 3: [ RUN ] AllocatorTest/5.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/5.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/5.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/5.VectorAllocatesAndResizesWithAlignment (1 ms) 3: [ RUN ] AllocatorTest/5.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/5.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/5.Move 3: [ OK ] AllocatorTest/5.Move (0 ms) 3: [ RUN ] AllocatorTest/5.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/5.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/5 (1 ms total) 3: 3: [----------] 1 test from AllocatorUntypedTest 3: [ RUN ] AllocatorUntypedTest.Comparison 3: [ OK ] AllocatorUntypedTest.Comparison (0 ms) 3: [----------] 1 test from AllocatorUntypedTest (0 ms total) 3: 3: [----------] 1 test from EmptyArrayRefTest 3: [ RUN ] EmptyArrayRefTest.IsEmpty 3: [ OK ] EmptyArrayRefTest.IsEmpty (5 ms) 3: [----------] 1 test from EmptyArrayRefTest (5 ms total) 3: 3: [----------] 1 test from EmptyConstArrayRefTest 3: [ RUN ] EmptyConstArrayRefTest.IsEmpty 3: [ OK ] EmptyConstArrayRefTest.IsEmpty (0 ms) 3: [----------] 1 test from EmptyConstArrayRefTest (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/0, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/0.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/0.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/0.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/0.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/0.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/0.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/0.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/0.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/0.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/0.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/0 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/1, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/1.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/1.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/1.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/1.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/1.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/1.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/1.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/1.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/1.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/1.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/1 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/2, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/2.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/2.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/2.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/2.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/2.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/2.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/2.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/2.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/2.ConstructFromNonConstVectorWorks (1 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/2.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/2 (1 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/3, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/3.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/3.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/3.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/3.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/3.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/3.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/3.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/3.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/3.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/3.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/3 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/4, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/4.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/4.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/4.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/4.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/4.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/4.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/4.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/4.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/4.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/4.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/4 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/5, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/5.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/5.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/5.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/5.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/5.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/5.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/5.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/5.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/5.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/5.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/5 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/6, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/6.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/6.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/6.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/6.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/6.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/6.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/6.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/6.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/6.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/6.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/6 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/7, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/7.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/7.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/7.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/7.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/7.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/7.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/7.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/7.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/7.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/7.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/7 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/8, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/8.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/8.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/8.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/8.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/8.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/8.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/8.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/8.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/8.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/8.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/8 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/9, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/9.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/9.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/9.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/9.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/9.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/9.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/9.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/9.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/9.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/9.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/9 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/10, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/10.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/10.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/10.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/10.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/10.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/10.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/10.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/10.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/10.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/10.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/10 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/11, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/11.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/11.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/11.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/11.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/11.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/11.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/11.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/11.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/11.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/11.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/11 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/12, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/12.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/12.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/12.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/12.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/12.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/12.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/12.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/12.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/12.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/12.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/12 (1 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/13, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/13.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/13.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/13.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/13.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/13.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/13.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/13.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/13.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/13.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/13.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/13 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/14, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/14.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/14.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/14.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/14.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/14.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/14.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/14.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/14.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/14.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/14.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/14 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/15, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/15.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/15.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/15.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/15.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/15.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/15.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/15.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/15.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/15.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/15.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/15 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/16, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/16.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/16.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/16.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/16.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/16.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/16.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/16.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/16.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/16.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/16.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/16 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/17, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/17.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/17.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/17.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/17.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/17.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/17.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/17.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/17.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/17.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/17.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/17 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/18, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/18.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/18.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/18.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/18.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/18.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/18.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/18.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/18.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/18.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/18.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/18 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/19, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/19.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/19.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/19.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/19.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/19.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/19.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/19.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/19.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/19.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/19.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/19 (0 ms total) 3: 3: [----------] 2 tests from CStringUtilityTest 3: [ RUN ] CStringUtilityTest.CaseInsensitiveComparison 3: [ OK ] CStringUtilityTest.CaseInsensitiveComparison (5 ms) 3: [ RUN ] CStringUtilityTest.CaseInsensitiveComparisonInLength 3: [ OK ] CStringUtilityTest.CaseInsensitiveComparisonInLength (0 ms) 3: [----------] 2 tests from CStringUtilityTest (5 ms total) 3: 3: [----------] 2 tests from DefaultInitializationAllocator 3: [ RUN ] DefaultInitializationAllocator.PerformsValueInitialization 3: [ OK ] DefaultInitializationAllocator.PerformsValueInitialization (0 ms) 3: [ RUN ] DefaultInitializationAllocator.PerformsNoInitialization 3: [ OK ] DefaultInitializationAllocator.PerformsNoInitialization (0 ms) 3: [----------] 2 tests from DefaultInitializationAllocator (0 ms total) 3: 3: [----------] 4 tests from EnumerationHelpersTest 3: [ RUN ] EnumerationHelpersTest.EnumerationWrapperWorks 3: [ OK ] EnumerationHelpersTest.EnumerationWrapperWorks (0 ms) 3: [ RUN ] EnumerationHelpersTest.EnumerationArrayWorks 3: [ OK ] EnumerationHelpersTest.EnumerationArrayWorks (0 ms) 3: [ RUN ] EnumerationHelpersTest.EnumerationArrayCountIsSafe 3: [ OK ] EnumerationHelpersTest.EnumerationArrayCountIsSafe (0 ms) 3: [ RUN ] EnumerationHelpersTest.ArrayRefOfEnumerationArrayWorks 3: [ OK ] EnumerationHelpersTest.ArrayRefOfEnumerationArrayWorks (0 ms) 3: [----------] 4 tests from EnumerationHelpersTest (0 ms total) 3: 3: [----------] 9 tests from FixedCapacityVectorTest 3: [ RUN ] FixedCapacityVectorTest.IsEmpty 3: [ OK ] FixedCapacityVectorTest.IsEmpty (0 ms) 3: [ RUN ] FixedCapacityVectorTest.PushWorks 3: [ OK ] FixedCapacityVectorTest.PushWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.PopWorks 3: [ OK ] FixedCapacityVectorTest.PopWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.ClearWorks 3: [ OK ] FixedCapacityVectorTest.ClearWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.EmplaceBackWorks 3: [ OK ] FixedCapacityVectorTest.EmplaceBackWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.AtThrows 3: [ OK ] FixedCapacityVectorTest.AtThrows (0 ms) 3: [ RUN ] FixedCapacityVectorTest.IteratorWorks 3: [ OK ] FixedCapacityVectorTest.IteratorWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.ReverseIteratorWorks 3: [ OK ] FixedCapacityVectorTest.ReverseIteratorWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.ZeroCapacityWorks 3: [ OK ] FixedCapacityVectorTest.ZeroCapacityWorks (0 ms) 3: [----------] 9 tests from FixedCapacityVectorTest (0 ms total) 3: 3: [----------] 5 tests from InMemorySerializerTest 3: [ RUN ] InMemorySerializerTest.Roundtrip 3: [ OK ] InMemorySerializerTest.Roundtrip (0 ms) 3: [ RUN ] InMemorySerializerTest.RoundtripWithEndianessSwap 3: [ OK ] InMemorySerializerTest.RoundtripWithEndianessSwap (0 ms) 3: [ RUN ] InMemorySerializerTest.SerializerExplicitEndianessSwap 3: [ OK ] InMemorySerializerTest.SerializerExplicitEndianessSwap (0 ms) 3: [ RUN ] InMemorySerializerTest.DeserializerExplicitEndianessSwap 3: [ OK ] InMemorySerializerTest.DeserializerExplicitEndianessSwap (0 ms) 3: [ RUN ] InMemorySerializerTest.SizeIsCorrect 3: [ OK ] InMemorySerializerTest.SizeIsCorrect (0 ms) 3: [----------] 5 tests from InMemorySerializerTest (0 ms total) 3: 3: [----------] 4 tests from KeyValueTreeSerializerTest 3: [ RUN ] KeyValueTreeSerializerTest.EmptyTree 3: [ OK ] KeyValueTreeSerializerTest.EmptyTree (18 ms) 3: [ RUN ] KeyValueTreeSerializerTest.SimpleObject 3: [ OK ] KeyValueTreeSerializerTest.SimpleObject (7 ms) 3: [ RUN ] KeyValueTreeSerializerTest.ObjectWithArrays 3: [ OK ] KeyValueTreeSerializerTest.ObjectWithArrays (3 ms) 3: [ RUN ] KeyValueTreeSerializerTest.ObjectWithObjects 3: [ OK ] KeyValueTreeSerializerTest.ObjectWithObjects (4 ms) 3: [----------] 4 tests from KeyValueTreeSerializerTest (32 ms total) 3: 3: [----------] 6 tests from TreeValueTransformTest 3: [ RUN ] TreeValueTransformTest.SimpleTransforms 3: [ OK ] TreeValueTransformTest.SimpleTransforms (3 ms) 3: [ RUN ] TreeValueTransformTest.SimpleTransformsCaseAndDashInsensitive 3: [ OK ] TreeValueTransformTest.SimpleTransformsCaseAndDashInsensitive (7 ms) 3: [ RUN ] TreeValueTransformTest.SimpleTransformsToObject 3: [ OK ] TreeValueTransformTest.SimpleTransformsToObject (22 ms) 3: [ RUN ] TreeValueTransformTest.ObjectFromString 3: [ OK ] TreeValueTransformTest.ObjectFromString (3 ms) 3: [ RUN ] TreeValueTransformTest.ObjectFromMultipleStrings 3: [ OK ] TreeValueTransformTest.ObjectFromMultipleStrings (8 ms) 3: [ RUN ] TreeValueTransformTest.ScopedTransformRules 3: [ OK ] TreeValueTransformTest.ScopedTransformRules (189 ms) 3: [----------] 6 tests from TreeValueTransformTest (232 ms total) 3: 3: [----------] 1 test from TreeValueTransformErrorTest 3: [ RUN ] TreeValueTransformErrorTest.ConversionError 3: [ OK ] TreeValueTransformErrorTest.ConversionError (0 ms) 3: [----------] 1 test from TreeValueTransformErrorTest (0 ms total) 3: 3: [----------] 7 tests from LoggerTest 3: [ RUN ] LoggerTest.EmptyLoggerWorks 3: [ OK ] LoggerTest.EmptyLoggerWorks (15 ms) 3: [ RUN ] LoggerTest.LogsToStream 3: [ OK ] LoggerTest.LogsToStream (883 ms) 3: [ RUN ] LoggerTest.LogsToFile 3: [ OK ] LoggerTest.LogsToFile (11 ms) 3: [ RUN ] LoggerTest.LevelFilteringWorks 3: [ OK ] LoggerTest.LevelFilteringWorks (1 ms) 3: [ RUN ] LoggerTest.LogsToMultipleStreams 3: [ OK ] LoggerTest.LogsToMultipleStreams (0 ms) 3: [ RUN ] LoggerTest.LogsToMultipleFiles 3: [ OK ] LoggerTest.LogsToMultipleFiles (7 ms) 3: [ RUN ] LoggerTest.LogsToStreamAndFile 3: [ OK ] LoggerTest.LogsToStreamAndFile (1 ms) 3: [----------] 7 tests from LoggerTest (918 ms total) 3: 3: [----------] 4 tests from MutexBasicTest 3: [ RUN ] MutexBasicTest.CanBeMade 3: [ OK ] MutexBasicTest.CanBeMade (0 ms) 3: [ RUN ] MutexBasicTest.CanBeLocked 3: [ OK ] MutexBasicTest.CanBeLocked (0 ms) 3: [ RUN ] MutexBasicTest.CanBeTryLocked 3: [ OK ] MutexBasicTest.CanBeTryLocked (0 ms) 3: [ RUN ] MutexBasicTest.CanBeUsedInLockGuard 3: [ OK ] MutexBasicTest.CanBeUsedInLockGuard (0 ms) 3: [----------] 4 tests from MutexBasicTest (0 ms total) 3: 3: [----------] 3 tests from MutexTaskTest 3: [ RUN ] MutexTaskTest.MutualExclusionWorksWithLock 3: [ OK ] MutexTaskTest.MutualExclusionWorksWithLock (0 ms) 3: [ RUN ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread 3: [ OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread (0 ms) 3: [ RUN ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread 3: [ OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread (0 ms) 3: [----------] 3 tests from MutexTaskTest (0 ms total) 3: 3: [----------] 2 tests from PathTest 3: [ RUN ] PathTest.StripSourcePrefixWorks 3: [ OK ] PathTest.StripSourcePrefixWorks (0 ms) 3: [ RUN ] PathTest.SearchOperationsWork 3: [ OK ] PathTest.SearchOperationsWork (8 ms) 3: [----------] 2 tests from PathTest (8 ms total) 3: 3: [----------] 2 tests from PhysicalNodeCommunicatorTest 3: [ RUN ] PhysicalNodeCommunicatorTest.CanConstruct 3: [ OK ] PhysicalNodeCommunicatorTest.CanConstruct (0 ms) 3: [ RUN ] PhysicalNodeCommunicatorTest.CanCallBarrier 3: [ OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (0 ms) 3: [----------] 2 tests from PhysicalNodeCommunicatorTest (0 ms total) 3: 3: [----------] 9 tests from StringUtilityTest 3: [ RUN ] StringUtilityTest.StartsWith 3: [ OK ] StringUtilityTest.StartsWith (0 ms) 3: [ RUN ] StringUtilityTest.EndsWith 3: [ OK ] StringUtilityTest.EndsWith (0 ms) 3: [ RUN ] StringUtilityTest.StripSuffixIfPresent 3: [ OK ] StringUtilityTest.StripSuffixIfPresent (0 ms) 3: [ RUN ] StringUtilityTest.StripString 3: [ OK ] StringUtilityTest.StripString (0 ms) 3: [ RUN ] StringUtilityTest.SplitString 3: [ OK ] StringUtilityTest.SplitString (0 ms) 3: [ RUN ] StringUtilityTest.SplitDelimitedString 3: [ OK ] StringUtilityTest.SplitDelimitedString (0 ms) 3: [ RUN ] StringUtilityTest.SplitAndTrimDelimitedString 3: [ OK ] StringUtilityTest.SplitAndTrimDelimitedString (0 ms) 3: [ RUN ] StringUtilityTest.CanCompareCaseInsensitive 3: [ OK ] StringUtilityTest.CanCompareCaseInsensitive (0 ms) 3: [ RUN ] StringUtilityTest.CanCompareCaseInsensitiveInLength 3: [ OK ] StringUtilityTest.CanCompareCaseInsensitiveInLength (0 ms) 3: [----------] 9 tests from StringUtilityTest (0 ms total) 3: 3: [----------] 2 tests from FormatStringTest 3: [ RUN ] FormatStringTest.HandlesBasicFormatting 3: [ OK ] FormatStringTest.HandlesBasicFormatting (0 ms) 3: [ RUN ] FormatStringTest.HandlesLongStrings 3: [ OK ] FormatStringTest.HandlesLongStrings (0 ms) 3: [----------] 2 tests from FormatStringTest (0 ms total) 3: 3: [----------] 1 test from StringFormatterTest 3: [ RUN ] StringFormatterTest.HandlesBasicFormatting 3: [ OK ] StringFormatterTest.HandlesBasicFormatting (0 ms) 3: [----------] 1 test from StringFormatterTest (0 ms total) 3: 3: [----------] 1 test from formatAndJoinTest 3: [ RUN ] formatAndJoinTest.Works 3: [ OK ] formatAndJoinTest.Works (0 ms) 3: [----------] 1 test from formatAndJoinTest (0 ms total) 3: 3: [----------] 1 test from JoinStringsTest 3: [ RUN ] JoinStringsTest.Works 3: [ OK ] JoinStringsTest.Works (0 ms) 3: [----------] 1 test from JoinStringsTest (0 ms total) 3: 3: [----------] 6 tests from ReplaceAllTest 3: [ RUN ] ReplaceAllTest.HandlesEmptyStrings 3: [ OK ] ReplaceAllTest.HandlesEmptyStrings (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesNoMatches 3: [ OK ] ReplaceAllTest.HandlesNoMatches (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesMatchesAtEnds 3: [ OK ] ReplaceAllTest.HandlesMatchesAtEnds (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesMultipleMatches 3: [ OK ] ReplaceAllTest.HandlesMultipleMatches (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesWordBoundaries 3: [ OK ] ReplaceAllTest.HandlesWordBoundaries (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesPossibleRecursiveMatches 3: [ OK ] ReplaceAllTest.HandlesPossibleRecursiveMatches (0 ms) 3: [----------] 6 tests from ReplaceAllTest (1 ms total) 3: 3: [----------] 10 tests from TextLineWrapperTest 3: [ RUN ] TextLineWrapperTest.HandlesEmptyStrings 3: [ OK ] TextLineWrapperTest.HandlesEmptyStrings (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesTrailingWhitespace 3: [ OK ] TextLineWrapperTest.HandlesTrailingWhitespace (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesTrailingNewlines 3: [ OK ] TextLineWrapperTest.HandlesTrailingNewlines (0 ms) 3: [ RUN ] TextLineWrapperTest.WrapsCorrectly 3: [ OK ] TextLineWrapperTest.WrapsCorrectly (0 ms) 3: [ RUN ] TextLineWrapperTest.WrapsCorrectlyWithExistingBreaks 3: [ OK ] TextLineWrapperTest.WrapsCorrectlyWithExistingBreaks (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesIndent 3: [ OK ] TextLineWrapperTest.HandlesIndent (5 ms) 3: [ RUN ] TextLineWrapperTest.HandlesIndentWithEmptyLines 3: [ OK ] TextLineWrapperTest.HandlesIndentWithEmptyLines (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesHangingIndent 3: [ OK ] TextLineWrapperTest.HandlesHangingIndent (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesContinuationCharacter 3: [ OK ] TextLineWrapperTest.HandlesContinuationCharacter (1 ms) 3: [ RUN ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace 3: [ OK ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace (0 ms) 3: [----------] 10 tests from TextLineWrapperTest (6 ms total) 3: 3: [----------] 6 tests from TextWriterTest 3: [ RUN ] TextWriterTest.WritesLines 3: [ OK ] TextWriterTest.WritesLines (0 ms) 3: [ RUN ] TextWriterTest.WritesLinesInParts 3: [ OK ] TextWriterTest.WritesLinesInParts (0 ms) 3: [ RUN ] TextWriterTest.WritesWrappedLines 3: [ OK ] TextWriterTest.WritesWrappedLines (0 ms) 3: [ RUN ] TextWriterTest.WritesLinesInPartsWithWrapper 3: [ OK ] TextWriterTest.WritesLinesInPartsWithWrapper (0 ms) 3: [ RUN ] TextWriterTest.TracksNewlines 3: [ OK ] TextWriterTest.TracksNewlines (1 ms) 3: [ RUN ] TextWriterTest.PreservesTrailingWhitespace 3: [ OK ] TextWriterTest.PreservesTrailingWhitespace (0 ms) 3: [----------] 6 tests from TextWriterTest (1 ms total) 3: 3: [----------] 1 test from TypeTraitsTest 3: [ RUN ] TypeTraitsTest.IsIntegralConstant 3: [ OK ] TypeTraitsTest.IsIntegralConstant (0 ms) 3: [----------] 1 test from TypeTraitsTest (0 ms total) 3: 3: [----------] 6 tests from BitmaskTest32_11/BitmaskTest32 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.SetAndClear/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.SetAndClear/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.InitBit/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.InitBit/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.InitLowBits/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.InitLowBits/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.Disjoint/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.Disjoint/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.Union/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.Union/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.ToHex/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.ToHex/0 (0 ms) 3: [----------] 6 tests from BitmaskTest32_11/BitmaskTest32 (0 ms total) 3: 3: [----------] 12 tests from BitmaskTest64_10_42/BitmaskTest64 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitBit/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitBit/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitBit/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitBit/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Union/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Union/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Union/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Union/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.ToHex/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.ToHex/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.ToHex/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.ToHex/1 (0 ms) 3: [----------] 12 tests from BitmaskTest64_10_42/BitmaskTest64 (0 ms total) 3: 3: [----------] 12 tests from BitmaskTest128_9_78/BitmaskTest128 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitBit/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitBit/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitBit/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitBit/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Union/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Union/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Union/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Union/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.ToHex/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.ToHex/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.ToHex/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.ToHex/1 (0 ms) 3: [----------] 12 tests from BitmaskTest128_9_78/BitmaskTest128 (0 ms total) 3: 3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2 (0 ms) 3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest (1 ms total) 3: 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/0 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/0 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/1 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/1 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/2 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/2 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/3 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/3 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/4 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/4 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/5 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/5 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/6 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/6 (0 ms) 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest (0 ms total) 3: 3: [----------] Global test environment tear-down 3: [==========] 347 tests from 56 test cases ran. (1213 ms total) 3: [ PASSED ] 347 tests. 3/54 Test #3: UtilityUnitTests .................... Passed 1.27 sec test 4 Start 4: UtilityMpiUnitTests 4: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/utility-mpi-test "-ntmpi" "4" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/UtilityMpiUnitTests.xml" 4: Test timeout computed to be: 30 4: [==========] Running 2 tests from 1 test case. 4: [----------] Global test environment set-up. 4: [----------] 2 tests from PhysicalNodeCommunicatorTest 4: [ RUN ] PhysicalNodeCommunicatorTest.CanConstruct 4: [ OK ] PhysicalNodeCommunicatorTest.CanConstruct (1 ms) 4: [ RUN ] PhysicalNodeCommunicatorTest.CanCallBarrier 4: [ OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (0 ms) 4: [----------] 2 tests from PhysicalNodeCommunicatorTest (1 ms total) 4: 4: [----------] Global test environment tear-down 4: [==========] 2 tests from 1 test case ran. (1 ms total) 4: [ PASSED ] 2 tests. 4/54 Test #4: UtilityMpiUnitTests ................. Passed 0.02 sec test 5 Start 5: MdlibUnitTest 5: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/mdlib-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MdlibUnitTest.xml" 5: Test timeout computed to be: 30 5: [==========] Running 187 tests from 13 test cases. 5: [----------] Global test environment set-up. 5: [----------] 1 test from VerletBufferConstraintTest 5: [ RUN ] VerletBufferConstraintTest.EqualMasses 5: [ OK ] VerletBufferConstraintTest.EqualMasses (0 ms) 5: [----------] 1 test from VerletBufferConstraintTest (0 ms total) 5: 5: [----------] 2 tests from PrEbinTest 5: [ RUN ] PrEbinTest.HandlesAverages 5: [ OK ] PrEbinTest.HandlesAverages (55 ms) 5: [ RUN ] PrEbinTest.HandlesEmptyAverages 5: [ OK ] PrEbinTest.HandlesEmptyAverages (5 ms) 5: [----------] 2 tests from PrEbinTest (60 ms total) 5: 5: [----------] 4 tests from ShakeTest 5: [ RUN ] ShakeTest.ConstrainsOneBond 5: [ OK ] ShakeTest.ConstrainsOneBond (0 ms) 5: [ RUN ] ShakeTest.ConstrainsTwoDisjointBonds 5: [ OK ] ShakeTest.ConstrainsTwoDisjointBonds (0 ms) 5: [ RUN ] ShakeTest.ConstrainsTwoBondsWithACommonAtom 5: [ OK ] ShakeTest.ConstrainsTwoBondsWithACommonAtom (0 ms) 5: [ RUN ] ShakeTest.ConstrainsThreeBondsWithCommonAtoms 5: [ OK ] ShakeTest.ConstrainsThreeBondsWithCommonAtoms (0 ms) 5: [----------] 4 tests from ShakeTest (1 ms total) 5: 5: [----------] 1 test from NullSignalTest 5: [ RUN ] NullSignalTest.NullSignallerWorks 5: [ OK ] NullSignalTest.NullSignallerWorks (0 ms) 5: [----------] 1 test from NullSignalTest (0 ms total) 5: 5: [----------] 7 tests from SignalTest 5: [ RUN ] SignalTest.NoSignalPropagatesIfNoSignallingTakesPlace 5: [ OK ] SignalTest.NoSignalPropagatesIfNoSignallingTakesPlace (0 ms) 5: [ RUN ] SignalTest.LocalIntraSimSignalPropagatesWhenIntraSimSignalTakesPlace 5: [ OK ] SignalTest.LocalIntraSimSignalPropagatesWhenIntraSimSignalTakesPlace (0 ms) 5: [ RUN ] SignalTest.LocalIntraSimSignalPropagatesWhenInterSimTakesPlace 5: [ OK ] SignalTest.LocalIntraSimSignalPropagatesWhenInterSimTakesPlace (0 ms) 5: [ RUN ] SignalTest.LocalIntraSimSignalPropagatesWhenBothTakePlace 5: [ OK ] SignalTest.LocalIntraSimSignalPropagatesWhenBothTakePlace (0 ms) 5: [ RUN ] SignalTest.NonLocalSignalDoesntPropagateWhenIntraSimSignalTakesPlace 5: [ OK ] SignalTest.NonLocalSignalDoesntPropagateWhenIntraSimSignalTakesPlace (0 ms) 5: [ RUN ] SignalTest.NonLocalSignalPropagatesWhenInterSimSignalTakesPlace 5: [ OK ] SignalTest.NonLocalSignalPropagatesWhenInterSimSignalTakesPlace (0 ms) 5: [ RUN ] SignalTest.NonLocalSignalPropagatesWhenBothTakePlace 5: [ OK ] SignalTest.NonLocalSignalPropagatesWhenBothTakePlace (0 ms) 5: [----------] 7 tests from SignalTest (0 ms total) 5: 5: [----------] 9 tests from UpdateGroups 5: [ RUN ] UpdateGroups.ethaneUA 5: [ OK ] UpdateGroups.ethaneUA (0 ms) 5: [ RUN ] UpdateGroups.methane 5: [ OK ] UpdateGroups.methane (0 ms) 5: [ RUN ] UpdateGroups.ethane 5: [ OK ] UpdateGroups.ethane (0 ms) 5: [ RUN ] UpdateGroups.butaneUA 5: [ OK ] UpdateGroups.butaneUA (0 ms) 5: [ RUN ] UpdateGroups.waterThreeSite 5: [ OK ] UpdateGroups.waterThreeSite (0 ms) 5: [ RUN ] UpdateGroups.waterFourSite 5: [ OK ] UpdateGroups.waterFourSite (0 ms) 5: [ RUN ] UpdateGroups.fourAtomsWithSettle 5: [ OK ] UpdateGroups.fourAtomsWithSettle (0 ms) 5: [ RUN ] UpdateGroups.waterFlexAngle 5: [ OK ] UpdateGroups.waterFlexAngle (0 ms) 5: [ RUN ] UpdateGroups.twoMoltypes 5: [ OK ] UpdateGroups.twoMoltypes (0 ms) 5: [----------] 9 tests from UpdateGroups (0 ms total) 5: 5: [----------] 1 test from UpdateGroupsCog 5: [ RUN ] UpdateGroupsCog.ComputesCogs 5: [ OK ] UpdateGroupsCog.ComputesCogs (17 ms) 5: [----------] 1 test from UpdateGroupsCog (17 ms total) 5: 5: [----------] 84 tests from WithParameters/ConstraintsTest 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/0 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/1 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/2 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/2 (1 ms) 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/3 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/6 (1 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/8 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/9 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/10 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/11 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/0 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/1 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/2 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/3 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/4 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/5 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/6 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/7 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/8 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/9 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/10 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/10 (1 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/11 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/12 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/12 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/13 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/13 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/14 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/14 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/15 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/15 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/8 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/9 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/10 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/10 (1 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/11 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/12 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/12 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/13 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/13 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/14 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/14 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/15 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/15 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/16 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/16 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/17 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/17 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/18 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/18 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/19 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/19 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/5 (1 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/8 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/9 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/10 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/11 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/12 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/12 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/13 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/13 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/14 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/14 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/15 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/15 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/16 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/16 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/17 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/17 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/18 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/18 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/19 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/19 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/20 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/20 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/21 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/21 (1 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/22 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/22 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/23 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/23 (0 ms) 5: [----------] 84 tests from WithParameters/ConstraintsTest (6 ms total) 5: 5: [----------] 11 tests from WithParameters/EnergyOutputTest 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/0 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_0.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (9 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/1 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_1.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (6 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/2 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_2.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (13 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/3 5: [ OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (3 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/4 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_4.edr as single precision energy file 5: Reading energy frame 0 time 10.100 Reading energy frame 1 time 27.500 Reading energy frame 2 time 44.900 Reading energy frame 3 time 62.300 Reading energy frame 4 time 79.700 Reading energy frame 5 time 97.100 Reading energy frame 6 time 114.500 Reading energy frame 7 time 131.900 Reading energy frame 8 time 149.300 Reading energy frame 9 time 166.700 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (75 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/5 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_5.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (9 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/6 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_6.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (18 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/7 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_7.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (3 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/8 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_8.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (13 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/9 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_9.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (3 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/10 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_10.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (7 ms) 5: [----------] 11 tests from WithParameters/EnergyOutputTest (162 ms total) 5: 5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/1 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/1 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/2 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/2 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/3 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/3 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/4 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/4 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/5 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/5 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/6 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/6 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/7 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/7 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/0 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/0 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/1 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/1 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/2 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/2 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/3 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/3 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/4 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/4 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/5 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/5 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/6 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/6 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/7 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/7 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/0 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/0 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/1 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/1 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/2 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/2 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/3 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/3 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/4 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/4 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/5 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/5 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/6 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/6 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/7 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/7 (0 ms) 5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple (0 ms total) 5: 5: [----------] 14 tests from RegressionTests/CalculateAcceptanceWeightRangeRegression 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/0 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/0 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/1 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/1 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/2 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/2 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/3 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/3 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/4 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/4 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/5 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/5 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/6 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/6 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/7 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/7 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/8 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/8 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/9 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/9 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/10 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/10 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/11 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/11 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/12 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/12 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/13 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/13 (0 ms) 5: [----------] 14 tests from RegressionTests/CalculateAcceptanceWeightRangeRegression (0 ms total) 5: 5: [----------] 16 tests from WithParameters/LeapFrogTest 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/0 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/0 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/1 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/1 (2 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/2 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/2 (1 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/3 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/3 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/4 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/4 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/5 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (3 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/6 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (23 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/7 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/7 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/8 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/8 (1 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/9 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/9 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/10 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (55 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/11 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/11 (182 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/12 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/12 (4 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/13 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (4 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/14 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (28 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/15 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (5 ms) 5: [----------] 16 tests from WithParameters/LeapFrogTest (315 ms total) 5: 5: [----------] 13 tests from WithParameters/SettleTest 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/0 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/0 (0 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/1 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/1 (0 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/2 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/2 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/3 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/3 (8 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/4 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/4 (2 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/5 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/5 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/6 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/6 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/7 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/7 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/8 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/8 (13 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/9 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/9 (2 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/10 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/10 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/11 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (2 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/12 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (2 ms) 5: [----------] 13 tests from WithParameters/SettleTest (37 ms total) 5: 5: [----------] Global test environment tear-down 5: [==========] 187 tests from 13 test cases ran. (599 ms total) 5: [ PASSED ] 187 tests. 5/54 Test #5: MdlibUnitTest ....................... Passed 0.63 sec test 6 Start 6: AppliedForcesUnitTest 6: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/applied_forces-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/AppliedForcesUnitTest.xml" 6: Test timeout computed to be: 30 6: [==========] Running 20 tests from 4 test cases. 6: [----------] Global test environment set-up. 6: [----------] 2 tests from DensityFittingTest 6: [ RUN ] DensityFittingTest.ForceProviderLackingInputThrows 6: [ OK ] DensityFittingTest.ForceProviderLackingInputThrows (1 ms) 6: [ RUN ] DensityFittingTest.SingleAtom 6: [ OK ] DensityFittingTest.SingleAtom (271 ms) 6: [----------] 2 tests from DensityFittingTest (272 ms total) 6: 6: [----------] 8 tests from DensityFittingOptionsTest 6: [ RUN ] DensityFittingOptionsTest.DefaultParameters 6: [ OK ] DensityFittingOptionsTest.DefaultParameters (0 ms) 6: [ RUN ] DensityFittingOptionsTest.OptionSetsActive 6: [ OK ] DensityFittingOptionsTest.OptionSetsActive (0 ms) 6: [ RUN ] DensityFittingOptionsTest.OutputNoDefaultValuesWhenInactive 6: [ OK ] DensityFittingOptionsTest.OutputNoDefaultValuesWhenInactive (0 ms) 6: [ RUN ] DensityFittingOptionsTest.OutputDefaultValuesWhenActive 6: [ OK ] DensityFittingOptionsTest.OutputDefaultValuesWhenActive (0 ms) 6: [ RUN ] DensityFittingOptionsTest.CanConvertGroupStringToIndexGroup 6: [ OK ] DensityFittingOptionsTest.CanConvertGroupStringToIndexGroup (0 ms) 6: [ RUN ] DensityFittingOptionsTest.InternalsToKvt 6: [ OK ] DensityFittingOptionsTest.InternalsToKvt (0 ms) 6: [ RUN ] DensityFittingOptionsTest.KvtToInternal 6: [ OK ] DensityFittingOptionsTest.KvtToInternal (0 ms) 6: [ RUN ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent 6: [ OK ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent (1 ms) 6: [----------] 8 tests from DensityFittingOptionsTest (1 ms total) 6: 6: [----------] 7 tests from DensityFittingAmplitudeLookupTest 6: [ RUN ] DensityFittingAmplitudeLookupTest.Unity 6: [ OK ] DensityFittingAmplitudeLookupTest.Unity (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.Charge 6: [ OK ] DensityFittingAmplitudeLookupTest.Charge (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.Masses 6: [ OK ] DensityFittingAmplitudeLookupTest.Masses (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanCopyAssign 6: [ OK ] DensityFittingAmplitudeLookupTest.CanCopyAssign (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanCopyConstruct 6: [ OK ] DensityFittingAmplitudeLookupTest.CanCopyConstruct (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanMoveAssign 6: [ OK ] DensityFittingAmplitudeLookupTest.CanMoveAssign (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanMoveConstruct 6: [ OK ] DensityFittingAmplitudeLookupTest.CanMoveConstruct (0 ms) 6: [----------] 7 tests from DensityFittingAmplitudeLookupTest (0 ms total) 6: 6: [----------] 3 tests from ElectricFieldTest 6: [ RUN ] ElectricFieldTest.Static 6: [ OK ] ElectricFieldTest.Static (8 ms) 6: [ RUN ] ElectricFieldTest.Oscillating 6: [ OK ] ElectricFieldTest.Oscillating (0 ms) 6: [ RUN ] ElectricFieldTest.Pulsed 6: [ OK ] ElectricFieldTest.Pulsed (0 ms) 6: [----------] 3 tests from ElectricFieldTest (8 ms total) 6: 6: [----------] Global test environment tear-down 6: [==========] 20 tests from 4 test cases ran. (281 ms total) 6: [ PASSED ] 20 tests. 6/54 Test #6: AppliedForcesUnitTest ............... Passed 0.32 sec test 7 Start 7: CommandLineUnitTests 7: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/commandline-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/CommandLineUnitTests.xml" 7: Test timeout computed to be: 30 7: [==========] Running 59 tests from 7 test cases. 7: [----------] Global test environment set-up. 7: [----------] 3 tests from CommandLineHelpModuleTest 7: [ RUN ] CommandLineHelpModuleTest.PrintsGeneralHelp 7: [ OK ] CommandLineHelpModuleTest.PrintsGeneralHelp (12 ms) 7: [ RUN ] CommandLineHelpModuleTest.PrintsHelpOnTopic 7: [ OK ] CommandLineHelpModuleTest.PrintsHelpOnTopic (16 ms) 7: [ RUN ] CommandLineHelpModuleTest.ExportsHelp 7: [ OK ] CommandLineHelpModuleTest.ExportsHelp (9 ms) 7: [----------] 3 tests from CommandLineHelpModuleTest (37 ms total) 7: 7: [----------] 7 tests from CommandLineHelpWriterTest 7: [ RUN ] CommandLineHelpWriterTest.HandlesOptionTypes 7: [ OK ] CommandLineHelpWriterTest.HandlesOptionTypes (12 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables 7: [ OK ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables (23 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesLongFileOptions 7: [ OK ] CommandLineHelpWriterTest.HandlesLongFileOptions (4 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesLongOptions 7: [ OK ] CommandLineHelpWriterTest.HandlesLongOptions (1 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesOptionGroups 7: [ OK ] CommandLineHelpWriterTest.HandlesOptionGroups (0 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesHelpText 7: [ OK ] CommandLineHelpWriterTest.HandlesHelpText (190 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesKnownIssues 7: [ OK ] CommandLineHelpWriterTest.HandlesKnownIssues (3 ms) 7: [----------] 7 tests from CommandLineHelpWriterTest (234 ms total) 7: 7: [----------] 6 tests from CommandLineModuleManagerTest 7: [ RUN ] CommandLineModuleManagerTest.RunsModule 7: [ OK ] CommandLineModuleManagerTest.RunsModule (1 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelp 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelp (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelpAfterQuiet 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelpAfterQuiet (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelpWithDashH 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashH (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames 7: [ OK ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames (1 ms) 7: [----------] 6 tests from CommandLineModuleManagerTest (2 ms total) 7: 7: [----------] 13 tests from CommandLineParserTest 7: [ RUN ] CommandLineParserTest.HandlesSingleValues 7: [ OK ] CommandLineParserTest.HandlesSingleValues (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesBooleanWithoutArgument 7: [ OK ] CommandLineParserTest.HandlesBooleanWithoutArgument (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesBooleanAsNoWithoutArgument 7: [ OK ] CommandLineParserTest.HandlesBooleanAsNoWithoutArgument (0 ms) 7: [ RUN ] CommandLineParserTest.ThrowsWithBooleanAsNoWithArgument 7: [ OK ] CommandLineParserTest.ThrowsWithBooleanAsNoWithArgument (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesNegativeNumbers 7: [ OK ] CommandLineParserTest.HandlesNegativeNumbers (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesString 7: [ OK ] CommandLineParserTest.HandlesString (0 ms) 7: [ RUN ] CommandLineParserTest.RejectsStringWithMultipleValues 7: [ OK ] CommandLineParserTest.RejectsStringWithMultipleValues (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesDoubleDashOptionPrefix 7: [ OK ] CommandLineParserTest.HandlesDoubleDashOptionPrefix (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesOptionsStartingWithNumbers 7: [ OK ] CommandLineParserTest.HandlesOptionsStartingWithNumbers (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesSkipUnknown 7: [ OK ] CommandLineParserTest.HandlesSkipUnknown (0 ms) 7: [ RUN ] CommandLineParserTest.RejectsPositionalArgumentsByDefault 7: [ OK ] CommandLineParserTest.RejectsPositionalArgumentsByDefault (0 ms) 7: [ RUN ] CommandLineParserTest.CanAllowPositionalArguments 7: [ OK ] CommandLineParserTest.CanAllowPositionalArguments (0 ms) 7: [ RUN ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions 7: [ OK ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions (0 ms) 7: [----------] 13 tests from CommandLineParserTest (0 ms total) 7: 7: [----------] 6 tests from CommandLineProgramContextTest 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryWithAbsolutePath 7: [ OK ] CommandLineProgramContextTest.FindsBinaryWithAbsolutePath (5 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryWithRelativePath 7: [ OK ] CommandLineProgramContextTest.FindsBinaryWithRelativePath (0 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromPath 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromPath (0 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromCurrentDirectory 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromCurrentDirectory (0 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromAbsoluteSymLink 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromAbsoluteSymLink (0 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromRelativeSymLink 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromRelativeSymLink (0 ms) 7: [----------] 6 tests from CommandLineProgramContextTest (6 ms total) 7: 7: [----------] 3 tests from OutputNamesTest 7: [ RUN ] OutputNamesTest.CanBeSuffixed 7: [ OK ] OutputNamesTest.CanBeSuffixed (0 ms) 7: [ RUN ] OutputNamesTest.HasSuffixFromNoAppend 7: [ OK ] OutputNamesTest.HasSuffixFromNoAppend (0 ms) 7: [ RUN ] OutputNamesTest.CanHavePartNumberAdded 7: [ OK ] OutputNamesTest.CanHavePartNumberAdded (0 ms) 7: [----------] 3 tests from OutputNamesTest (0 ms total) 7: 7: [----------] 21 tests from ParseCommonArgsTest 7: [ RUN ] ParseCommonArgsTest.ParsesIntegerArgs 7: [ OK ] ParseCommonArgsTest.ParsesIntegerArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesInt64Args 7: [ OK ] ParseCommonArgsTest.ParsesInt64Args (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesRealArgs 7: [ OK ] ParseCommonArgsTest.ParsesRealArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesStringArgs 7: [ OK ] ParseCommonArgsTest.ParsesStringArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesBooleanArgs 7: [ OK ] ParseCommonArgsTest.ParsesBooleanArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesVectorArgs 7: [ OK ] ParseCommonArgsTest.ParsesVectorArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesTimeArgs 7: [ OK ] ParseCommonArgsTest.ParsesTimeArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesTimeArgsWithTimeUnit 7: [ OK ] ParseCommonArgsTest.ParsesTimeArgsWithTimeUnit (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesEnumArgs 7: [ OK ] ParseCommonArgsTest.ParsesEnumArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesFileArgs 7: [ OK ] ParseCommonArgsTest.ParsesFileArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesFileArgsWithDefaults 7: [ OK ] ParseCommonArgsTest.ParsesFileArgsWithDefaults (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesFileArgsWithDefaultFileName 7: [ OK ] ParseCommonArgsTest.ParsesFileArgsWithDefaultFileName (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParseFileArgsWithCustomDefaultExtension 7: [ OK ] ParseCommonArgsTest.ParseFileArgsWithCustomDefaultExtension (0 ms) 7: [ RUN ] ParseCommonArgsTest.HandlesNonExistentInputFiles 7: [ OK ] ParseCommonArgsTest.HandlesNonExistentInputFiles (0 ms) 7: [ RUN ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles 7: [ OK ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles (0 ms) 7: [ RUN ] ParseCommonArgsTest.AcceptsNonExistentInputFilesIfSpecified 7: [ OK ] ParseCommonArgsTest.AcceptsNonExistentInputFilesIfSpecified (1 ms) 7: [ RUN ] ParseCommonArgsTest.HandlesCompressedFiles 7: [ OK ] ParseCommonArgsTest.HandlesCompressedFiles (3 ms) 7: [ RUN ] ParseCommonArgsTest.AcceptsUnknownTrajectoryExtension 7: [ OK ] ParseCommonArgsTest.AcceptsUnknownTrajectoryExtension (1 ms) 7: [ RUN ] ParseCommonArgsTest.CompletesExtensionFromExistingFile 7: [ OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFile (1 ms) 7: [ RUN ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName 7: [ OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (0 ms) 7: [ RUN ] ParseCommonArgsTest.CanKeepUnknownArgs 7: [ OK ] ParseCommonArgsTest.CanKeepUnknownArgs (1 ms) 7: [----------] 21 tests from ParseCommonArgsTest (7 ms total) 7: 7: [----------] Global test environment tear-down 7: [==========] 59 tests from 7 test cases ran. (286 ms total) 7: [ PASSED ] 59 tests. 7/54 Test #7: CommandLineUnitTests ................ Passed 0.30 sec test 8 Start 8: DomDecTests 8: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/domdec-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/DomDecTests.xml" 8: Test timeout computed to be: 30 8: [==========] Running 9 tests from 2 test cases. 8: [----------] Global test environment set-up. 8: [----------] 7 tests from HashedMap 8: [ RUN ] HashedMap.InsertsFinds 8: [ OK ] HashedMap.InsertsFinds (0 ms) 8: [ RUN ] HashedMap.NegativeKeysWork 8: [ OK ] HashedMap.NegativeKeysWork (0 ms) 8: [ RUN ] HashedMap.InsertsErases 8: [ OK ] HashedMap.InsertsErases (0 ms) 8: [ RUN ] HashedMap.InsertsOrAssigns 8: [ OK ] HashedMap.InsertsOrAssigns (0 ms) 8: [ RUN ] HashedMap.Clears 8: [ OK ] HashedMap.Clears (0 ms) 8: [ RUN ] HashedMap.LinkedEntries 8: [ OK ] HashedMap.LinkedEntries (0 ms) 8: [ RUN ] HashedMap.ResizesTable 8: [ OK ] HashedMap.ResizesTable (0 ms) 8: [----------] 7 tests from HashedMap (0 ms total) 8: 8: [----------] 2 tests from LocalAtomSetManager 8: [ RUN ] LocalAtomSetManager.CanAddEmptyLocalAtomSet 8: [ OK ] LocalAtomSetManager.CanAddEmptyLocalAtomSet (0 ms) 8: [ RUN ] LocalAtomSetManager.CanAddandReadLocalAtomSetIndices 8: [ OK ] LocalAtomSetManager.CanAddandReadLocalAtomSetIndices (0 ms) 8: [----------] 2 tests from LocalAtomSetManager (0 ms total) 8: 8: [----------] Global test environment tear-down 8: [==========] 9 tests from 2 test cases ran. (0 ms total) 8: [ PASSED ] 9 tests. 8/54 Test #8: DomDecTests ......................... Passed 0.03 sec test 9 Start 9: EwaldUnitTests 9: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/ewald-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/EwaldUnitTests.xml" 9: Test timeout computed to be: 30 9: [==========] Running 257 tests from 10 test cases. 9: [----------] Global test environment set-up. 9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 (0 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1 (0 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2 (0 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 (4 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4 (0 ms) 9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest (5 ms total) 9: 9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 (249 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (19 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (18 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (6 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (12 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (140 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (18 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (5 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (17 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (11 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 (10 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (31 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 (90 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (32 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 (16 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (17 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (6 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 (8 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 (6 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (15 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 (14 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (15 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (15 ms) 9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (776 ms total) 9: 9: [----------] 144 tests from SaneInput/PmeGatherTest 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/0 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/0 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/1 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/1 (11 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/2 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/2 (17 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/3 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/3 (15 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/4 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/4 (17 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/5 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/5 (309 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/6 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/6 (10 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/7 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/7 (18 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/8 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/8 (25 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/9 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/9 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/10 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/10 (33 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/11 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/11 (18 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/12 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/12 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/13 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/13 (11 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/14 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/14 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/15 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/15 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/16 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/16 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/17 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/17 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/18 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/18 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/19 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/19 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/20 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/20 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/21 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/21 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/22 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/22 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/23 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/23 (138 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/24 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/24 (18 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/25 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/25 (62 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/26 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/26 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/27 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/27 (212 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/28 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/28 (100 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/29 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/29 (100 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/30 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/30 (10 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/31 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/31 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/32 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/32 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/33 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/33 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/34 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/34 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/35 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/35 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/36 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/36 (9 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/37 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/37 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/38 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/38 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/39 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/39 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/40 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/40 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/41 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/41 (10 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/42 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/42 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/43 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/43 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/44 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/44 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/45 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/45 (15 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/46 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/46 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/47 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/47 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/48 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/48 (104 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/49 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/49 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/50 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/50 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/51 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/51 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/52 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/52 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/53 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/53 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/54 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/54 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/55 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/55 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/56 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/56 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/57 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/57 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/58 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/58 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/59 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/59 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/60 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/60 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/61 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/61 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/62 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/62 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/63 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/63 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/64 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/64 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/65 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/65 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/66 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/66 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/67 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/67 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/68 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/68 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/69 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/69 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/70 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/70 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/71 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/71 (11 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/72 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/72 (416 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/73 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/73 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/74 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/74 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/75 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/75 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/76 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/76 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/77 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/77 (288 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/78 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/78 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/79 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/79 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/80 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/80 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/81 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/81 (11 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/82 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/82 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/83 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/83 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/84 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/84 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/85 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/85 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/86 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/86 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/87 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/87 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/88 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/88 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/89 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/89 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/90 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/90 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/91 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/91 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/92 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/92 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/93 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/93 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/94 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/94 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/95 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/95 (10 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/96 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/96 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/97 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/97 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/98 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/98 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/99 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/99 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/100 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/100 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/101 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/101 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/102 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/102 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/103 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/103 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/104 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/104 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/105 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/105 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/106 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/106 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/107 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/107 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/108 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/108 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/109 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/109 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/110 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/110 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/111 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/111 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/112 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/112 (99 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/113 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/113 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/114 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/114 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/115 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/115 (10 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/116 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/116 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/117 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/117 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/118 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/118 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/119 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/119 (11 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/120 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/120 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/121 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/121 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/122 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/122 (46 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/123 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/123 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/124 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/124 (15 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/125 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/125 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/126 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/126 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/127 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/127 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/128 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/128 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/129 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/129 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/130 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/130 (10 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/131 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/131 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/132 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/132 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/133 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/133 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/134 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/134 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/135 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/135 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/136 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/136 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/137 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/137 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/138 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/138 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/139 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/139 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/140 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/140 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/141 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/141 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/142 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/142 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/143 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/143 (5 ms) 9: [----------] 144 tests from SaneInput/PmeGatherTest (2529 ms total) 9: 9: [----------] 16 tests from SaneInput/PmeSolveTest 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/0 (4 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/1 (4 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/2 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/3 (5 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/4 (5 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/5 (4 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/6 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/7 (20 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/8 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/8 (4 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/9 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/9 (13 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/10 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/10 (6 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/11 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/11 (5 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/12 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/12 (11 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/13 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/13 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/14 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/14 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/15 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/15 (2 ms) 9: [----------] 16 tests from SaneInput/PmeSolveTest (90 ms total) 9: 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2 (4 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 (2 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 (2 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 (1 ms) 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest (13 ms total) 9: 9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 (3 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 (1 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2 (7 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3 (12 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4 (2 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5 (8 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 (1 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 (1 ms) 9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest (36 ms total) 9: 9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/5 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 (5 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 (7 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 (4 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11 (12 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12 (4 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13 (460 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14 (25 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 (1 ms) 9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest (530 ms total) 9: 9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0 (8 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1 (11 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2 (10 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3 (10 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 (9 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 (16 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 (6 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 (3 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 (5 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 (6299 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 (197 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 (102 ms) 9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest (6677 ms total) 9: 9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 (96 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1 (41 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2 (11 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3 (5 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4 (6 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5 (12 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/6 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/6 (125 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7 (100 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8 (300 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 (100 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 (104 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11 (17 ms) 9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest (918 ms total) 9: 9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 (10 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 (15 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 (88 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 (74 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4 (25 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5 (42 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6 (58 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 (774 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 (15 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 (20 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 (41 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 (15 ms) 9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest (1184 ms total) 9: 9: [----------] Global test environment tear-down 9: [==========] 257 tests from 10 test cases ran. (13093 ms total) 9: [ PASSED ] 257 tests. 9/54 Test #9: EwaldUnitTests ...................... Passed 13.20 sec test 10 Start 10: FFTUnitTests 10: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/fft-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/FFTUnitTests.xml" 10: Test timeout computed to be: 30 10: [==========] Running 14 tests from 4 test cases. 10: [----------] Global test environment set-up. 10: [----------] 2 tests from ManyFFTTest 10: [ RUN ] ManyFFTTest.Complex1DLength48Multi5Test 10: [ OK ] ManyFFTTest.Complex1DLength48Multi5Test (327 ms) 10: [ RUN ] ManyFFTTest.Real1DLength48Multi5Test 10: [ OK ] ManyFFTTest.Real1DLength48Multi5Test (35 ms) 10: [----------] 2 tests from ManyFFTTest (364 ms total) 10: 10: [----------] 1 test from FFTTest 10: [ RUN ] FFTTest.Real2DLength18_15Test 10: [ OK ] FFTTest.Real2DLength18_15Test (9 ms) 10: [----------] 1 test from FFTTest (9 ms total) 10: 10: [----------] 1 test from FFFTest3D 10: [ RUN ] FFFTest3D.Real5_6_9 10: [ OK ] FFFTest3D.Real5_6_9 (7 ms) 10: [----------] 1 test from FFFTest3D (7 ms total) 10: 10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/0 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (8 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/1 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (10 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/2 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/2 (7 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/3 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (103 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/4 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (3 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/0 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/0 (25 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/1 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/1 (1 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/2 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/2 (34 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/3 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/3 (37 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/4 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/4 (30 ms) 10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (259 ms total) 10: 10: [----------] Global test environment tear-down 10: [==========] 14 tests from 4 test cases ran. (639 ms total) 10: [ PASSED ] 14 tests. 10/54 Test #10: FFTUnitTests ........................ Passed 0.69 sec test 11 Start 11: GpuUtilsUnitTests 11: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/gpu_utils-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/GpuUtilsUnitTests.xml" 11: Test timeout computed to be: 30 11: [==========] Running 62 tests from 20 test cases. 11: [----------] Global test environment set-up. 11: [----------] 2 tests from ClfftInitializer 11: [ RUN ] ClfftInitializer.SingleInitializationWorks 11: [ OK ] ClfftInitializer.SingleInitializationWorks (0 ms) 11: [ RUN ] ClfftInitializer.TwoInitializationsWork 11: [ OK ] ClfftInitializer.TwoInitializationsWork (0 ms) 11: [----------] 2 tests from ClfftInitializer (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/0, where TypeParam = int 11: [ RUN ] HostAllocatorTest/0.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/0.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/0.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/0.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/0 (1 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/1, where TypeParam = float 11: [ RUN ] HostAllocatorTest/1.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/1.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/1.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/1.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/1 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTest/2.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/2.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/2.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/2.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/2 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/3, where TypeParam = gmx::test::MoveOnly 11: [ RUN ] HostAllocatorTest/3.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/3.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/3.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/3.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/3 (0 ms total) 11: 11: [----------] 3 tests from HostAllocatorTestCopyable/0, where TypeParam = int 11: [ RUN ] HostAllocatorTestCopyable/0.VectorsWithDefaultHostAllocatorAlwaysWorks 11: [ OK ] HostAllocatorTestCopyable/0.VectorsWithDefaultHostAllocatorAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/0.TransfersWithoutPinningWork 11: [ OK ] HostAllocatorTestCopyable/0.TransfersWithoutPinningWork (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/0.FillInputAlsoWorksAfterCallingReserve 11: [ OK ] HostAllocatorTestCopyable/0.FillInputAlsoWorksAfterCallingReserve (0 ms) 11: [----------] 3 tests from HostAllocatorTestCopyable/0 (0 ms total) 11: 11: [----------] 3 tests from HostAllocatorTestCopyable/1, where TypeParam = float 11: [ RUN ] HostAllocatorTestCopyable/1.VectorsWithDefaultHostAllocatorAlwaysWorks 11: [ OK ] HostAllocatorTestCopyable/1.VectorsWithDefaultHostAllocatorAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/1.TransfersWithoutPinningWork 11: [ OK ] HostAllocatorTestCopyable/1.TransfersWithoutPinningWork (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/1.FillInputAlsoWorksAfterCallingReserve 11: [ OK ] HostAllocatorTestCopyable/1.FillInputAlsoWorksAfterCallingReserve (0 ms) 11: [----------] 3 tests from HostAllocatorTestCopyable/1 (0 ms total) 11: 11: [----------] 3 tests from HostAllocatorTestCopyable/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTestCopyable/2.VectorsWithDefaultHostAllocatorAlwaysWorks 11: [ OK ] HostAllocatorTestCopyable/2.VectorsWithDefaultHostAllocatorAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/2.TransfersWithoutPinningWork 11: [ OK ] HostAllocatorTestCopyable/2.TransfersWithoutPinningWork (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/2.FillInputAlsoWorksAfterCallingReserve 11: [ OK ] HostAllocatorTestCopyable/2.FillInputAlsoWorksAfterCallingReserve (0 ms) 11: [----------] 3 tests from HostAllocatorTestCopyable/2 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/0, where TypeParam = int 11: [ RUN ] HostAllocatorTestNoMem/0.CreateVector 11: [ OK ] HostAllocatorTestNoMem/0.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/0.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/0.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.Swap 11: [ OK ] HostAllocatorTestNoMem/0.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.Comparison 11: [ OK ] HostAllocatorTestNoMem/0.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/0 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/1, where TypeParam = float 11: [ RUN ] HostAllocatorTestNoMem/1.CreateVector 11: [ OK ] HostAllocatorTestNoMem/1.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/1.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/1.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.Swap 11: [ OK ] HostAllocatorTestNoMem/1.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.Comparison 11: [ OK ] HostAllocatorTestNoMem/1.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/1 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTestNoMem/2.CreateVector 11: [ OK ] HostAllocatorTestNoMem/2.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/2.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/2.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.Swap 11: [ OK ] HostAllocatorTestNoMem/2.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.Comparison 11: [ OK ] HostAllocatorTestNoMem/2.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/2 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/3, where TypeParam = gmx::test::MoveOnly 11: [ RUN ] HostAllocatorTestNoMem/3.CreateVector 11: [ OK ] HostAllocatorTestNoMem/3.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/3.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/3.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.Swap 11: [ OK ] HostAllocatorTestNoMem/3.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.Comparison 11: [ OK ] HostAllocatorTestNoMem/3.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/3 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/0, where TypeParam = int 11: [ RUN ] HostAllocatorTestNoMemCopyable/0.CopyAssignment 11: [ OK ] HostAllocatorTestNoMemCopyable/0.CopyAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMemCopyable/0.CopyConstruction 11: [ OK ] HostAllocatorTestNoMemCopyable/0.CopyConstruction (0 ms) 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/0 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/1, where TypeParam = float 11: [ RUN ] HostAllocatorTestNoMemCopyable/1.CopyAssignment 11: [ OK ] HostAllocatorTestNoMemCopyable/1.CopyAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMemCopyable/1.CopyConstruction 11: [ OK ] HostAllocatorTestNoMemCopyable/1.CopyConstruction (0 ms) 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/1 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTestNoMemCopyable/2.CopyAssignment 11: [ OK ] HostAllocatorTestNoMemCopyable/2.CopyAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMemCopyable/2.CopyConstruction 11: [ OK ] HostAllocatorTestNoMemCopyable/2.CopyConstruction (0 ms) 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/2 (0 ms total) 11: 11: [----------] 1 test from HostAllocatorUntypedTest 11: [ RUN ] HostAllocatorUntypedTest.Comparison 11: [ OK ] HostAllocatorUntypedTest.Comparison (0 ms) 11: [----------] 1 test from HostAllocatorUntypedTest (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/0, where TypeParam = gmx::Allocator 11: [ RUN ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/0.Move 11: [ OK ] AllocatorTest/0.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/0 (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/1, where TypeParam = gmx::Allocator 11: [ RUN ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/1.Move 11: [ OK ] AllocatorTest/1.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/1 (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/2, where TypeParam = gmx::Allocator, gmx::HostAllocationPolicy> 11: [ RUN ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (1 ms) 11: [ RUN ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/2.Move 11: [ OK ] AllocatorTest/2.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/2 (1 ms total) 11: 11: [----------] 4 tests from AllocatorTest/3, where TypeParam = gmx::Allocator 11: [ RUN ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/3.Move 11: [ OK ] AllocatorTest/3.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/3 (0 ms total) 11: 11: [----------] Global test environment tear-down 11: [==========] 62 tests from 20 test cases ran. (2 ms total) 11: [ PASSED ] 62 tests. 11/54 Test #11: GpuUtilsUnitTests ................... Passed 0.07 sec test 12 Start 12: HardwareUnitTests 12: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/hardware-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/HardwareUnitTests.xml" 12: Test timeout computed to be: 30 12: [==========] Running 4 tests from 1 test case. 12: [----------] Global test environment set-up. 12: [----------] 4 tests from HardwareTopologyTest 12: [ RUN ] HardwareTopologyTest.Execute 12: [ OK ] HardwareTopologyTest.Execute (88 ms) 12: [ RUN ] HardwareTopologyTest.HwlocExecute 12: [ OK ] HardwareTopologyTest.HwlocExecute (62 ms) 12: [ RUN ] HardwareTopologyTest.ProcessorSelfconsistency 12: [ OK ] HardwareTopologyTest.ProcessorSelfconsistency (75 ms) 12: [ RUN ] HardwareTopologyTest.NumaCacheSelfconsistency 12: [ OK ] HardwareTopologyTest.NumaCacheSelfconsistency (79 ms) 12: [----------] 4 tests from HardwareTopologyTest (304 ms total) 12: 12: [----------] Global test environment tear-down 12: [==========] 4 tests from 1 test case ran. (304 ms total) 12: [ PASSED ] 4 tests. 12/54 Test #12: HardwareUnitTests ................... Passed 0.34 sec test 13 Start 13: MathUnitTests 13: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/math-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MathUnitTests.xml" 13: Test timeout computed to be: 30 13: [==========] Running 204 tests from 29 test cases. 13: [----------] Global test environment set-up. 13: [----------] 1 test from EmptyArrayRefWithPaddingTest 13: [ RUN ] EmptyArrayRefWithPaddingTest.IsEmpty 13: [ OK ] EmptyArrayRefWithPaddingTest.IsEmpty (0 ms) 13: [----------] 1 test from EmptyArrayRefWithPaddingTest (20 ms total) 13: 13: [----------] 1 test from EmptyConstArrayRefWithPaddingTest 13: [ RUN ] EmptyConstArrayRefWithPaddingTest.IsEmpty 13: [ OK ] EmptyConstArrayRefWithPaddingTest.IsEmpty (0 ms) 13: [----------] 1 test from EmptyConstArrayRefWithPaddingTest (0 ms total) 13: 13: [----------] 2 tests from ArrayRefWithPaddingTest/0, where TypeParam = gmx::ArrayRefWithPadding 13: [ RUN ] ArrayRefWithPaddingTest/0.AssignFromPaddedVectorWorks 13: [ OK ] ArrayRefWithPaddingTest/0.AssignFromPaddedVectorWorks (1 ms) 13: [ RUN ] ArrayRefWithPaddingTest/0.ConstructFromPointersWorks 13: [ OK ] ArrayRefWithPaddingTest/0.ConstructFromPointersWorks (0 ms) 13: [----------] 2 tests from ArrayRefWithPaddingTest/0 (1 ms total) 13: 13: [----------] 2 tests from ArrayRefWithPaddingTest/1, where TypeParam = gmx::ArrayRefWithPadding 13: [ RUN ] ArrayRefWithPaddingTest/1.AssignFromPaddedVectorWorks 13: [ OK ] ArrayRefWithPaddingTest/1.AssignFromPaddedVectorWorks (0 ms) 13: [ RUN ] ArrayRefWithPaddingTest/1.ConstructFromPointersWorks 13: [ OK ] ArrayRefWithPaddingTest/1.ConstructFromPointersWorks (0 ms) 13: [----------] 2 tests from ArrayRefWithPaddingTest/1 (0 ms total) 13: 13: [----------] 2 tests from ArrayRefWithPaddingTest/2, where TypeParam = gmx::ArrayRefWithPadding 13: [ RUN ] ArrayRefWithPaddingTest/2.AssignFromPaddedVectorWorks 13: [ OK ] ArrayRefWithPaddingTest/2.AssignFromPaddedVectorWorks (0 ms) 13: [ RUN ] ArrayRefWithPaddingTest/2.ConstructFromPointersWorks 13: [ OK ] ArrayRefWithPaddingTest/2.ConstructFromPointersWorks (0 ms) 13: [----------] 2 tests from ArrayRefWithPaddingTest/2 (0 ms total) 13: 13: [----------] 8 tests from TranslateAndScaleTest 13: [ RUN ] TranslateAndScaleTest.identityTransformation 13: [ OK ] TranslateAndScaleTest.identityTransformation (0 ms) 13: [ RUN ] TranslateAndScaleTest.translationWithIdentityScaling 13: [ OK ] TranslateAndScaleTest.translationWithIdentityScaling (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingWithZeroTranslation 13: [ OK ] TranslateAndScaleTest.scalingWithZeroTranslation (0 ms) 13: [ RUN ] TranslateAndScaleTest.translationAndScalingNonTrivial 13: [ OK ] TranslateAndScaleTest.translationAndScalingNonTrivial (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingIdentity 13: [ OK ] TranslateAndScaleTest.scalingIdentity (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingNonTrivial 13: [ OK ] TranslateAndScaleTest.scalingNonTrivial (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingInverseNoZero 13: [ OK ] TranslateAndScaleTest.scalingInverseNoZero (1 ms) 13: [ RUN ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero 13: [ OK ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero (0 ms) 13: [----------] 8 tests from TranslateAndScaleTest (1 ms total) 13: 13: [----------] 12 tests from DensitySimilarityTest 13: [ RUN ] DensitySimilarityTest.InnerProductIsCorrect 13: [ OK ] DensitySimilarityTest.InnerProductIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.InnerProductGradientIsCorrect 13: [ OK ] DensitySimilarityTest.InnerProductGradientIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.GradientThrowsIfDensitiesDontMatch 13: [ OK ] DensitySimilarityTest.GradientThrowsIfDensitiesDontMatch (0 ms) 13: [ RUN ] DensitySimilarityTest.SimilarityThrowsIfDensitiesDontMatch 13: [ OK ] DensitySimilarityTest.SimilarityThrowsIfDensitiesDontMatch (0 ms) 13: [ RUN ] DensitySimilarityTest.CopiedMeasureInnerProductIsCorrect 13: [ OK ] DensitySimilarityTest.CopiedMeasureInnerProductIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.RelativeEntropyOfSameDensityIsZero 13: [ OK ] DensitySimilarityTest.RelativeEntropyOfSameDensityIsZero (0 ms) 13: [ RUN ] DensitySimilarityTest.RelativeEntropyIsCorrect 13: [ OK ] DensitySimilarityTest.RelativeEntropyIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect 13: [ OK ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect (11 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationIsOne 13: [ OK ] DensitySimilarityTest.CrossCorrelationIsOne (61 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated 13: [ OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (81 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated 13: [ OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (24 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect 13: [ OK ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect (65 ms) 13: [----------] 12 tests from DensitySimilarityTest (242 ms total) 13: 13: [----------] 6 tests from StructureSimilarityTest 13: [ RUN ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD 13: [ OK ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD (0 ms) 13: [ RUN ] StructureSimilarityTest.StructureComparedToSelfHasZeroRho 13: [ OK ] StructureSimilarityTest.StructureComparedToSelfHasZeroRho (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRMSD 13: [ OK ] StructureSimilarityTest.YieldsCorrectRMSD (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRho 13: [ OK ] StructureSimilarityTest.YieldsCorrectRho (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRMSDWithIndex 13: [ OK ] StructureSimilarityTest.YieldsCorrectRMSDWithIndex (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRhoWidthIndex 13: [ OK ] StructureSimilarityTest.YieldsCorrectRhoWidthIndex (0 ms) 13: [----------] 6 tests from StructureSimilarityTest (0 ms total) 13: 13: [----------] 8 tests from ExponentialMovingAverage 13: [ RUN ] ExponentialMovingAverage.ThrowsWhenLagTimeIsZero 13: [ OK ] ExponentialMovingAverage.ThrowsWhenLagTimeIsZero (0 ms) 13: [ RUN ] ExponentialMovingAverage.ThrowsWhenLagTimeIsNegative 13: [ OK ] ExponentialMovingAverage.ThrowsWhenLagTimeIsNegative (0 ms) 13: [ RUN ] ExponentialMovingAverage.LagTimeOneYieldsInstantaneousValue 13: [ OK ] ExponentialMovingAverage.LagTimeOneYieldsInstantaneousValue (0 ms) 13: [ RUN ] ExponentialMovingAverage.YieldsCorrectValue 13: [ OK ] ExponentialMovingAverage.YieldsCorrectValue (0 ms) 13: [ RUN ] ExponentialMovingAverage.SetAverageCorrectly 13: [ OK ] ExponentialMovingAverage.SetAverageCorrectly (0 ms) 13: [ RUN ] ExponentialMovingAverage.DeterminesCorrectlyIfIncreasing 13: [ OK ] ExponentialMovingAverage.DeterminesCorrectlyIfIncreasing (0 ms) 13: [ RUN ] ExponentialMovingAverage.InverseLagTimeCorrect 13: [ OK ] ExponentialMovingAverage.InverseLagTimeCorrect (0 ms) 13: [ RUN ] ExponentialMovingAverage.RoundTripAsKeyValueTree 13: [ OK ] ExponentialMovingAverage.RoundTripAsKeyValueTree (0 ms) 13: [----------] 8 tests from ExponentialMovingAverage (0 ms total) 13: 13: [----------] 21 tests from FunctionTest 13: [ RUN ] FunctionTest.StaticLog2 13: [ OK ] FunctionTest.StaticLog2 (7 ms) 13: [ RUN ] FunctionTest.Log2I32Bit 13: [ OK ] FunctionTest.Log2I32Bit (4 ms) 13: [ RUN ] FunctionTest.Log2I64Bit 13: [ OK ] FunctionTest.Log2I64Bit (8 ms) 13: [ RUN ] FunctionTest.GreatestCommonDivisor 13: [ OK ] FunctionTest.GreatestCommonDivisor (0 ms) 13: [ RUN ] FunctionTest.InvsqrtFloat 13: [ OK ] FunctionTest.InvsqrtFloat (8 ms) 13: [ RUN ] FunctionTest.InvsqrtDouble 13: [ OK ] FunctionTest.InvsqrtDouble (17 ms) 13: [ RUN ] FunctionTest.InvsqrtInteger 13: [ OK ] FunctionTest.InvsqrtInteger (16 ms) 13: [ RUN ] FunctionTest.InvcbrtFloat 13: [ OK ] FunctionTest.InvcbrtFloat (11 ms) 13: [ RUN ] FunctionTest.InvcbrtDouble 13: [ OK ] FunctionTest.InvcbrtDouble (5 ms) 13: [ RUN ] FunctionTest.InvcbrtInteger 13: [ OK ] FunctionTest.InvcbrtInteger (23 ms) 13: [ RUN ] FunctionTest.SixthrootFloat 13: [ OK ] FunctionTest.SixthrootFloat (7 ms) 13: [ RUN ] FunctionTest.SixthrootDouble 13: [ OK ] FunctionTest.SixthrootDouble (2 ms) 13: [ RUN ] FunctionTest.SixthrootInteger 13: [ OK ] FunctionTest.SixthrootInteger (16 ms) 13: [ RUN ] FunctionTest.InvsixthrootFloat 13: [ OK ] FunctionTest.InvsixthrootFloat (0 ms) 13: [ RUN ] FunctionTest.InvsixthrootDouble 13: [ OK ] FunctionTest.InvsixthrootDouble (1 ms) 13: [ RUN ] FunctionTest.InvsixthrootInteger 13: [ OK ] FunctionTest.InvsixthrootInteger (33 ms) 13: [ RUN ] FunctionTest.Powers 13: [ OK ] FunctionTest.Powers (0 ms) 13: [ RUN ] FunctionTest.ErfInvFloat 13: [ OK ] FunctionTest.ErfInvFloat (35 ms) 13: [ RUN ] FunctionTest.ErfInvDouble 13: [ OK ] FunctionTest.ErfInvDouble (21 ms) 13: [ RUN ] FunctionTest.ErfAndErfInvAreInversesFloat 13: [ OK ] FunctionTest.ErfAndErfInvAreInversesFloat (1 ms) 13: [ RUN ] FunctionTest.ErfAndErfInvAreInversesDouble 13: [ OK ] FunctionTest.ErfAndErfInvAreInversesDouble (0 ms) 13: [----------] 21 tests from FunctionTest (215 ms total) 13: 13: [----------] 4 tests from GaussianOn1DLattice 13: [ RUN ] GaussianOn1DLattice.sumsCloseToOne 13: [ OK ] GaussianOn1DLattice.sumsCloseToOne (0 ms) 13: [ RUN ] GaussianOn1DLattice.isCorrect 13: [ OK ] GaussianOn1DLattice.isCorrect (0 ms) 13: [ RUN ] GaussianOn1DLattice.complementaryAmplitudesSumToZero 13: [ OK ] GaussianOn1DLattice.complementaryAmplitudesSumToZero (0 ms) 13: [ RUN ] GaussianOn1DLattice.doesNotOverflowForLargeRange 13: [ OK ] GaussianOn1DLattice.doesNotOverflowForLargeRange (0 ms) 13: [----------] 4 tests from GaussianOn1DLattice (0 ms total) 13: 13: [----------] 9 tests from GaussTransformTest 13: [ RUN ] GaussTransformTest.isZeroUponConstruction 13: [ OK ] GaussTransformTest.isZeroUponConstruction (0 ms) 13: [ RUN ] GaussTransformTest.isZeroAddingZeroAmplitudeGauss 13: [ OK ] GaussTransformTest.isZeroAddingZeroAmplitudeGauss (0 ms) 13: [ RUN ] GaussTransformTest.isZeroAfterSettingZero 13: [ OK ] GaussTransformTest.isZeroAfterSettingZero (0 ms) 13: [ RUN ] GaussTransformTest.isZeroWhenOutsideRangeinX 13: [ OK ] GaussTransformTest.isZeroWhenOutsideRangeinX (0 ms) 13: [ RUN ] GaussTransformTest.isZeroWhenOutsideRangeinY 13: [ OK ] GaussTransformTest.isZeroWhenOutsideRangeinY (0 ms) 13: [ RUN ] GaussTransformTest.isZeroWhenOutsideRangeinZ 13: [ OK ] GaussTransformTest.isZeroWhenOutsideRangeinZ (0 ms) 13: [ RUN ] GaussTransformTest.complementaryGaussAddToZero 13: [ OK ] GaussTransformTest.complementaryGaussAddToZero (0 ms) 13: [ RUN ] GaussTransformTest.centerGaussianInCubeHasExpectedValues 13: [ OK ] GaussTransformTest.centerGaussianInCubeHasExpectedValues (0 ms) 13: [ RUN ] GaussTransformTest.view 13: [ OK ] GaussTransformTest.view (0 ms) 13: [----------] 9 tests from GaussTransformTest (0 ms total) 13: 13: [----------] 3 tests from DensityFittingForce 13: [ RUN ] DensityFittingForce.isZeroWhenMatchingDensity 13: [ OK ] DensityFittingForce.isZeroWhenMatchingDensity (0 ms) 13: [ RUN ] DensityFittingForce.isZeroWhenMismatchingSameAllDirections 13: [ OK ] DensityFittingForce.isZeroWhenMismatchingSameAllDirections (0 ms) 13: [ RUN ] DensityFittingForce.pullsTowardsDerivative 13: [ OK ] DensityFittingForce.pullsTowardsDerivative (0 ms) 13: [----------] 3 tests from DensityFittingForce (0 ms total) 13: 13: [----------] 2 tests from InvertMatrixTest 13: [ RUN ] InvertMatrixTest.IdentityIsImpotent 13: [ OK ] InvertMatrixTest.IdentityIsImpotent (0 ms) 13: [ RUN ] InvertMatrixTest.ComputesInverse 13: [ OK ] InvertMatrixTest.ComputesInverse (0 ms) 13: [----------] 2 tests from InvertMatrixTest (0 ms total) 13: 13: [----------] 2 tests from InvertBoxMatrixTest 13: [ RUN ] InvertBoxMatrixTest.IdentityIsImpotent 13: [ OK ] InvertBoxMatrixTest.IdentityIsImpotent (0 ms) 13: [ RUN ] InvertBoxMatrixTest.ComputesInverseInPlace 13: [ OK ] InvertBoxMatrixTest.ComputesInverseInPlace (0 ms) 13: [----------] 2 tests from InvertBoxMatrixTest (0 ms total) 13: 13: [----------] 15 tests from MatrixTest 13: [ RUN ] MatrixTest.canSetFromArray 13: [ OK ] MatrixTest.canSetFromArray (0 ms) 13: [ RUN ] MatrixTest.canSetStaticallyFromList 13: [ OK ] MatrixTest.canSetStaticallyFromList (0 ms) 13: [ RUN ] MatrixTest.canConstructAndFill 13: [ OK ] MatrixTest.canConstructAndFill (0 ms) 13: [ RUN ] MatrixTest.canSetValues 13: [ OK ] MatrixTest.canSetValues (0 ms) 13: [ RUN ] MatrixTest.canCopyAssign 13: [ OK ] MatrixTest.canCopyAssign (0 ms) 13: [ RUN ] MatrixTest.canSwap 13: [ OK ] MatrixTest.canSwap (1 ms) 13: [ RUN ] MatrixTest.staticMultiDimArrayExtent 13: [ OK ] MatrixTest.staticMultiDimArrayExtent (0 ms) 13: [ RUN ] MatrixTest.determinantWorks 13: [ OK ] MatrixTest.determinantWorks (0 ms) 13: [ RUN ] MatrixTest.noninvertableDeterminantIsZero 13: [ OK ] MatrixTest.noninvertableDeterminantIsZero (0 ms) 13: [ RUN ] MatrixTest.determinantOfDiagonalMatrix 13: [ OK ] MatrixTest.determinantOfDiagonalMatrix (0 ms) 13: [ RUN ] MatrixTest.traceWorks 13: [ OK ] MatrixTest.traceWorks (0 ms) 13: [ RUN ] MatrixTest.transposeWorks 13: [ OK ] MatrixTest.transposeWorks (0 ms) 13: [ RUN ] MatrixTest.transposeOfSymmetricMatrix 13: [ OK ] MatrixTest.transposeOfSymmetricMatrix (0 ms) 13: [ RUN ] MatrixTest.canCreateFromLegacyMatrix 13: [ OK ] MatrixTest.canCreateFromLegacyMatrix (0 ms) 13: [ RUN ] MatrixTest.canFillLegacyMatrix 13: [ OK ] MatrixTest.canFillLegacyMatrix (0 ms) 13: [----------] 15 tests from MatrixTest (1 ms total) 13: 13: [----------] 25 tests from MultiDimArrayTest 13: [ RUN ] MultiDimArrayTest.canConstructAndFillStatic 13: [ OK ] MultiDimArrayTest.canConstructAndFillStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canConstructAndFillDynamic 13: [ OK ] MultiDimArrayTest.canConstructAndFillDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSetValuesInStatic 13: [ OK ] MultiDimArrayTest.canSetValuesInStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSetValuesInDynamic 13: [ OK ] MultiDimArrayTest.canSetValuesInDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveConstructStatic 13: [ OK ] MultiDimArrayTest.canMoveConstructStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveConstructDynamic 13: [ OK ] MultiDimArrayTest.canMoveConstructDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveAssignStatic 13: [ OK ] MultiDimArrayTest.canMoveAssignStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveAssignDynamic 13: [ OK ] MultiDimArrayTest.canMoveAssignDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyConstructStatic 13: [ OK ] MultiDimArrayTest.canCopyConstructStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyConstructDynamic 13: [ OK ] MultiDimArrayTest.canCopyConstructDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyAssignStatic 13: [ OK ] MultiDimArrayTest.canCopyAssignStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyAssignDynamic 13: [ OK ] MultiDimArrayTest.canCopyAssignDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSwapStatic 13: [ OK ] MultiDimArrayTest.canSwapStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSwapDynamic 13: [ OK ] MultiDimArrayTest.canSwapDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.staticMultiDimArrayExtent 13: [ OK ] MultiDimArrayTest.staticMultiDimArrayExtent (0 ms) 13: [ RUN ] MultiDimArrayTest.dynamicMultiDimArrayExtent 13: [ OK ] MultiDimArrayTest.dynamicMultiDimArrayExtent (0 ms) 13: [ RUN ] MultiDimArrayTest.dynamicMultiDimArrayResizesToCorrectExtent 13: [ OK ] MultiDimArrayTest.dynamicMultiDimArrayResizesToCorrectExtent (0 ms) 13: [ RUN ] MultiDimArrayTest.dynamicMultiDimArrayResizeAndSetValue 13: [ OK ] MultiDimArrayTest.dynamicMultiDimArrayResizeAndSetValue (0 ms) 13: [ RUN ] MultiDimArrayTest.staticMultiDimArrayFromArray 13: [ OK ] MultiDimArrayTest.staticMultiDimArrayFromArray (0 ms) 13: [ RUN ] MultiDimArrayTest.conversionToView 13: [ OK ] MultiDimArrayTest.conversionToView (0 ms) 13: [ RUN ] MultiDimArrayTest.conversionToConstView 13: [ OK ] MultiDimArrayTest.conversionToConstView (0 ms) 13: [ RUN ] MultiDimArrayTest.viewBegin 13: [ OK ] MultiDimArrayTest.viewBegin (0 ms) 13: [ RUN ] MultiDimArrayTest.viewEnd 13: [ OK ] MultiDimArrayTest.viewEnd (0 ms) 13: [ RUN ] MultiDimArrayTest.constViewConstBegin 13: [ OK ] MultiDimArrayTest.constViewConstBegin (0 ms) 13: [ RUN ] MultiDimArrayTest.constViewConstEnd 13: [ OK ] MultiDimArrayTest.constViewConstEnd (0 ms) 13: [----------] 25 tests from MultiDimArrayTest (0 ms total) 13: 13: [----------] 4 tests from MultiDimArrayToMdSpanTest 13: [ RUN ] MultiDimArrayToMdSpanTest.convertsToMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.convertsToMdSpan (0 ms) 13: [ RUN ] MultiDimArrayToMdSpanTest.constArrayToMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.constArrayToMdSpan (0 ms) 13: [ RUN ] MultiDimArrayToMdSpanTest.nonConstArrayToConstMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.nonConstArrayToConstMdSpan (0 ms) 13: [ RUN ] MultiDimArrayToMdSpanTest.implicitConversionToMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.implicitConversionToMdSpan (0 ms) 13: [----------] 4 tests from MultiDimArrayToMdSpanTest (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/0, where TypeParam = std::allocator 13: [ RUN ] PaddedVectorTest/0.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/0.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/0.CanCopyAssign 13: [ OK ] PaddedVectorTest/0.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/0.CanMoveAssign 13: [ OK ] PaddedVectorTest/0.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/0.CanSwap 13: [ OK ] PaddedVectorTest/0.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/0 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/1, where TypeParam = std::allocator 13: [ RUN ] PaddedVectorTest/1.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/1.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/1.CanCopyAssign 13: [ OK ] PaddedVectorTest/1.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/1.CanMoveAssign 13: [ OK ] PaddedVectorTest/1.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/1.CanSwap 13: [ OK ] PaddedVectorTest/1.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/1 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/2, where TypeParam = std::allocator 13: [ RUN ] PaddedVectorTest/2.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/2.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/2.CanCopyAssign 13: [ OK ] PaddedVectorTest/2.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/2.CanMoveAssign 13: [ OK ] PaddedVectorTest/2.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/2.CanSwap 13: [ OK ] PaddedVectorTest/2.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/2 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/3, where TypeParam = std::allocator > 13: [ RUN ] PaddedVectorTest/3.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/3.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/3.CanCopyAssign 13: [ OK ] PaddedVectorTest/3.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/3.CanMoveAssign 13: [ OK ] PaddedVectorTest/3.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/3.CanSwap 13: [ OK ] PaddedVectorTest/3.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/3 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/4, where TypeParam = std::allocator > 13: [ RUN ] PaddedVectorTest/4.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/4.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/4.CanCopyAssign 13: [ OK ] PaddedVectorTest/4.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/4.CanMoveAssign 13: [ OK ] PaddedVectorTest/4.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/4.CanSwap 13: [ OK ] PaddedVectorTest/4.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/4 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/5, where TypeParam = gmx::Allocator 13: [ RUN ] PaddedVectorTest/5.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/5.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/5.CanCopyAssign 13: [ OK ] PaddedVectorTest/5.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/5.CanMoveAssign 13: [ OK ] PaddedVectorTest/5.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/5.CanSwap 13: [ OK ] PaddedVectorTest/5.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/5 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/6, where TypeParam = gmx::Allocator 13: [ RUN ] PaddedVectorTest/6.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/6.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/6.CanCopyAssign 13: [ OK ] PaddedVectorTest/6.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/6.CanMoveAssign 13: [ OK ] PaddedVectorTest/6.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/6.CanSwap 13: [ OK ] PaddedVectorTest/6.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/6 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/7, where TypeParam = gmx::Allocator 13: [ RUN ] PaddedVectorTest/7.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/7.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/7.CanCopyAssign 13: [ OK ] PaddedVectorTest/7.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/7.CanMoveAssign 13: [ OK ] PaddedVectorTest/7.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/7.CanSwap 13: [ OK ] PaddedVectorTest/7.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/7 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/8, where TypeParam = gmx::Allocator, gmx::AlignedAllocationPolicy> 13: [ RUN ] PaddedVectorTest/8.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/8.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/8.CanCopyAssign 13: [ OK ] PaddedVectorTest/8.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/8.CanMoveAssign 13: [ OK ] PaddedVectorTest/8.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/8.CanSwap 13: [ OK ] PaddedVectorTest/8.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/8 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/9, where TypeParam = gmx::Allocator, gmx::AlignedAllocationPolicy> 13: [ RUN ] PaddedVectorTest/9.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/9.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/9.CanCopyAssign 13: [ OK ] PaddedVectorTest/9.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/9.CanMoveAssign 13: [ OK ] PaddedVectorTest/9.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/9.CanSwap 13: [ OK ] PaddedVectorTest/9.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/9 (0 ms total) 13: 13: [----------] 37 tests from RVecTest 13: [ RUN ] RVecTest.CanBeStoredInVector 13: [ OK ] RVecTest.CanBeStoredInVector (0 ms) 13: [ RUN ] RVecTest.ConvertsImplicitlyFrom_rvec 13: [ OK ] RVecTest.ConvertsImplicitlyFrom_rvec (0 ms) 13: [ RUN ] RVecTest.ConvertsImplicitlyTo_rvec 13: [ OK ] RVecTest.ConvertsImplicitlyTo_rvec (0 ms) 13: [ RUN ] RVecTest.WorksAsMutable_rvec 13: [ OK ] RVecTest.WorksAsMutable_rvec (0 ms) 13: [ RUN ] RVecTest.WorksAs_rvec_Array 13: [ OK ] RVecTest.WorksAs_rvec_Array (0 ms) 13: [ RUN ] RVecTest.CanAddRVecToRvec 13: [ OK ] RVecTest.CanAddRVecToRvec (0 ms) 13: [ RUN ] RVecTest.CanAddAssignRVecToRvec 13: [ OK ] RVecTest.CanAddAssignRVecToRvec (0 ms) 13: [ RUN ] RVecTest.CanSubtractRVecFromRvec 13: [ OK ] RVecTest.CanSubtractRVecFromRvec (0 ms) 13: [ RUN ] RVecTest.CanSubtractAssignRVecFromRvec 13: [ OK ] RVecTest.CanSubtractAssignRVecFromRvec (0 ms) 13: [ RUN ] RVecTest.CanDotProductRVecByRvec 13: [ OK ] RVecTest.CanDotProductRVecByRvec (0 ms) 13: [ RUN ] RVecTest.CanCrossProductRVecByRvec 13: [ OK ] RVecTest.CanCrossProductRVecByRvec (0 ms) 13: [ RUN ] RVecTest.CanDivideRVecInplace 13: [ OK ] RVecTest.CanDivideRVecInplace (0 ms) 13: [ RUN ] RVecTest.CanScaleRVec 13: [ OK ] RVecTest.CanScaleRVec (0 ms) 13: [ RUN ] RVecTest.CanDivideRVec 13: [ OK ] RVecTest.CanDivideRVec (0 ms) 13: [ RUN ] RVecTest.CanDoUnitvFromRVec 13: [ OK ] RVecTest.CanDoUnitvFromRVec (0 ms) 13: [ RUN ] RVecTest.CanSqLengthOfRVec 13: [ OK ] RVecTest.CanSqLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanLengthOfRVec 13: [ OK ] RVecTest.CanLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanCastToRVec 13: [ OK ] RVecTest.CanCastToRVec (0 ms) 13: [ RUN ] RVecTest.CanCastToDVec 13: [ OK ] RVecTest.CanCastToDVec (0 ms) 13: [ RUN ] RVecTest.CanLeftScalarMultiply 13: [ OK ] RVecTest.CanLeftScalarMultiply (0 ms) 13: [ RUN ] RVecTest.CanRightScalarMultiply 13: [ OK ] RVecTest.CanRightScalarMultiply (0 ms) 13: [ RUN ] RVecTest.CanGetUnitvFromRVec 13: [ OK ] RVecTest.CanGetUnitvFromRVec (0 ms) 13: [ RUN ] RVecTest.CanGetSqLengthOfRVec 13: [ OK ] RVecTest.CanGetSqLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanGetLengthOfRVec 13: [ OK ] RVecTest.CanGetLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanDoCrossProductOfRVec 13: [ OK ] RVecTest.CanDoCrossProductOfRVec (0 ms) 13: [ RUN ] RVecTest.CanDoDotProductOfRVec 13: [ OK ] RVecTest.CanDoDotProductOfRVec (0 ms) 13: [ RUN ] RVecTest.CanScaleByVector 13: [ OK ] RVecTest.CanScaleByVector (0 ms) 13: [ RUN ] RVecTest.asIVec 13: [ OK ] RVecTest.asIVec (0 ms) 13: [ RUN ] RVecTest.elementWiseMin 13: [ OK ] RVecTest.elementWiseMin (0 ms) 13: [ RUN ] RVecTest.elementWiseMax 13: [ OK ] RVecTest.elementWiseMax (0 ms) 13: [ RUN ] RVecTest.WorksAs_dvec_Reference 13: [ OK ] RVecTest.WorksAs_dvec_Reference (0 ms) 13: [ RUN ] RVecTest.WorksAs_ivec_Reference 13: [ OK ] RVecTest.WorksAs_ivec_Reference (0 ms) 13: [ RUN ] RVecTest.WorksAs_rvec_Reference 13: [ OK ] RVecTest.WorksAs_rvec_Reference (0 ms) 13: [ RUN ] RVecTest.CopyConstructorWorks 13: [ OK ] RVecTest.CopyConstructorWorks (0 ms) 13: [ RUN ] RVecTest.CopyAssignmentWorks 13: [ OK ] RVecTest.CopyAssignmentWorks (0 ms) 13: [ RUN ] RVecTest.MoveConstructorWorks 13: [ OK ] RVecTest.MoveConstructorWorks (0 ms) 13: [ RUN ] RVecTest.MoveAssignmentWorks 13: [ OK ] RVecTest.MoveAssignmentWorks (0 ms) 13: [----------] 37 tests from RVecTest (0 ms total) 13: 13: [----------] Global test environment tear-down 13: [==========] 204 tests from 29 test cases ran. (480 ms total) 13: [ PASSED ] 204 tests. 13/54 Test #13: MathUnitTests ....................... Passed 0.54 sec test 14 Start 14: MdrunUtilityUnitTests 14: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/mdrunutility-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MdrunUtilityUnitTests.xml" 14: Test timeout computed to be: 30 14: [==========] Running 17 tests from 1 test case. 14: [----------] Global test environment set-up. 14: [----------] 17 tests from ThreadAffinityTest 14: [ RUN ] ThreadAffinityTest.DoesNothingWhenDisabled 14: [ OK ] ThreadAffinityTest.DoesNothingWhenDisabled (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWhenNotSupported 14: [ OK ] ThreadAffinityTest.DoesNothingWhenNotSupported (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithAutoAndTooFewUserSetThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooFewUserSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyUserSetThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyUserSetThreads (1 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyAutoSetThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyAutoSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithUnknownHardware 14: [ OK ] ThreadAffinityTest.DoesNothingWithUnknownHardware (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithTooManyThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithTooManyThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithTooLargeOffset 14: [ OK ] ThreadAffinityTest.DoesNothingWithTooLargeOffset (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithTooLargeStride 14: [ OK ] ThreadAffinityTest.DoesNothingWithTooLargeStride (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsSingleThreadWithAuto 14: [ OK ] ThreadAffinityTest.PinsSingleThreadWithAuto (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsSingleThreadWhenForced 14: [ OK ] ThreadAffinityTest.PinsSingleThreadWhenForced (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced 14: [ OK ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced (0 ms) 14: [ RUN ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread 14: NOTE: Affinity setting failed. 14: [ OK ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsMultipleThreadsWithAuto 14: [ OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (1 ms) 14: [ RUN ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced 14: [ OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads 14: [ OK ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing 14: NOTE: Affinity setting for 1/2 threads failed. 14: [ OK ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing (1 ms) 14: [----------] 17 tests from ThreadAffinityTest (4 ms total) 14: 14: [----------] Global test environment tear-down 14: [==========] 17 tests from 1 test case ran. (4 ms total) 14: [ PASSED ] 17 tests. 14/54 Test #14: MdrunUtilityUnitTests ............... Passed 0.05 sec test 15 Start 15: MdrunUtilityMpiUnitTests 15: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/mdrunutility-mpi-test "-ntmpi" "4" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MdrunUtilityMpiUnitTests.xml" 15: Test timeout computed to be: 30 15: [==========] Running 13 tests from 2 test cases. 15: [----------] Global test environment set-up. 15: [----------] 6 tests from ThreadAffinityMultiRankTest 15: [ RUN ] ThreadAffinityMultiRankTest.PinsWholeNode 15: [ OK ] ThreadAffinityMultiRankTest.PinsWholeNode (2 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride 15: [ OK ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride (3 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.PinsTwoNodes 15: [ OK ] ThreadAffinityMultiRankTest.PinsTwoNodes (1 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled 15: [ OK ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled (1 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto 15: [ OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto (1 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce 15: [ OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (13 ms) 15: [----------] 6 tests from ThreadAffinityMultiRankTest (21 ms total) 15: 15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly (1 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly (1 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster (68 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly (8 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly (1 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly (1 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly (1 ms) 15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (81 ms total) 15: 15: [----------] Global test environment tear-down 15: [==========] 13 tests from 2 test cases ran. (102 ms total) 15: [ PASSED ] 13 tests. 15/54 Test #15: MdrunUtilityMpiUnitTests ............ Passed 0.12 sec test 16 Start 16: MDSpanTests 16: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/mdspan-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MDSpanTests.xml" 16: Test timeout computed to be: 30 16: [==========] Running 32 tests from 7 test cases. 16: [----------] Global test environment set-up. 16: [----------] 4 tests from BasicAccessorPolicy 16: [ RUN ] BasicAccessorPolicy.Decay 16: [ OK ] BasicAccessorPolicy.Decay (0 ms) 16: [ RUN ] BasicAccessorPolicy.Access 16: [ OK ] BasicAccessorPolicy.Access (0 ms) 16: [ RUN ] BasicAccessorPolicy.Offset 16: [ OK ] BasicAccessorPolicy.Offset (0 ms) 16: [ RUN ] BasicAccessorPolicy.CopyAccessor 16: [ OK ] BasicAccessorPolicy.CopyAccessor (0 ms) 16: [----------] 4 tests from BasicAccessorPolicy (0 ms total) 16: 16: [----------] 4 tests from ExtentsTest 16: [ RUN ] ExtentsTest.Construction 16: [ OK ] ExtentsTest.Construction (0 ms) 16: [ RUN ] ExtentsTest.PurelyStatic 16: [ OK ] ExtentsTest.PurelyStatic (0 ms) 16: [ RUN ] ExtentsTest.RankNought 16: [ OK ] ExtentsTest.RankNought (0 ms) 16: [ RUN ] ExtentsTest.Assignment 16: [ OK ] ExtentsTest.Assignment (0 ms) 16: [----------] 4 tests from ExtentsTest (0 ms total) 16: 16: [----------] 8 tests from MdSpanExtension 16: [ RUN ] MdSpanExtension.SlicingAllStatic 16: [ OK ] MdSpanExtension.SlicingAllStatic (0 ms) 16: [ RUN ] MdSpanExtension.SlicingDynamic 16: [ OK ] MdSpanExtension.SlicingDynamic (0 ms) 16: [ RUN ] MdSpanExtension.SlicingAllStatic3D 16: [ OK ] MdSpanExtension.SlicingAllStatic3D (0 ms) 16: [ RUN ] MdSpanExtension.SlicingEqualsView3D 16: [ OK ] MdSpanExtension.SlicingEqualsView3D (0 ms) 16: [ RUN ] MdSpanExtension.additionWorks 16: [ OK ] MdSpanExtension.additionWorks (0 ms) 16: [ RUN ] MdSpanExtension.subtractionWorks 16: [ OK ] MdSpanExtension.subtractionWorks (0 ms) 16: [ RUN ] MdSpanExtension.multiplicationWorks 16: [ OK ] MdSpanExtension.multiplicationWorks (0 ms) 16: [ RUN ] MdSpanExtension.divisionWorks 16: [ OK ] MdSpanExtension.divisionWorks (0 ms) 16: [----------] 8 tests from MdSpanExtension (0 ms total) 16: 16: [----------] 3 tests from LayoutTests 16: [ RUN ] LayoutTests.LayoutRightConstruction 16: [ OK ] LayoutTests.LayoutRightConstruction (0 ms) 16: [ RUN ] LayoutTests.LayoutRightProperties 16: [ OK ] LayoutTests.LayoutRightProperties (0 ms) 16: [ RUN ] LayoutTests.LayoutRightOperator 16: [ OK ] LayoutTests.LayoutRightOperator (0 ms) 16: [----------] 3 tests from LayoutTests (0 ms total) 16: 16: [----------] 1 test from MdSpanTest 16: [ RUN ] MdSpanTest.MdSpanWrapsBasicMdSpanCorrectly 16: [ OK ] MdSpanTest.MdSpanWrapsBasicMdSpanCorrectly (0 ms) 16: [----------] 1 test from MdSpanTest (0 ms total) 16: 16: [----------] 6 tests from MdSpanTest/0, where TypeParam = gmx::basic_mdspan, gmx::layout_right, gmx::accessor_basic > 16: [ RUN ] MdSpanTest/0.Rank 16: [ OK ] MdSpanTest/0.Rank (0 ms) 16: [ RUN ] MdSpanTest/0.DynamicRank 16: [ OK ] MdSpanTest/0.DynamicRank (0 ms) 16: [ RUN ] MdSpanTest/0.Extents 16: [ OK ] MdSpanTest/0.Extents (0 ms) 16: [ RUN ] MdSpanTest/0.Strides 16: [ OK ] MdSpanTest/0.Strides (0 ms) 16: [ RUN ] MdSpanTest/0.Properties 16: [ OK ] MdSpanTest/0.Properties (0 ms) 16: [ RUN ] MdSpanTest/0.Operator 16: [ OK ] MdSpanTest/0.Operator (0 ms) 16: [----------] 6 tests from MdSpanTest/0 (0 ms total) 16: 16: [----------] 6 tests from MdSpanTest/1, where TypeParam = gmx::basic_mdspan, gmx::layout_right, gmx::accessor_basic > 16: [ RUN ] MdSpanTest/1.Rank 16: [ OK ] MdSpanTest/1.Rank (0 ms) 16: [ RUN ] MdSpanTest/1.DynamicRank 16: [ OK ] MdSpanTest/1.DynamicRank (0 ms) 16: [ RUN ] MdSpanTest/1.Extents 16: [ OK ] MdSpanTest/1.Extents (0 ms) 16: [ RUN ] MdSpanTest/1.Strides 16: [ OK ] MdSpanTest/1.Strides (0 ms) 16: [ RUN ] MdSpanTest/1.Properties 16: [ OK ] MdSpanTest/1.Properties (0 ms) 16: [ RUN ] MdSpanTest/1.Operator 16: [ OK ] MdSpanTest/1.Operator (0 ms) 16: [----------] 6 tests from MdSpanTest/1 (0 ms total) 16: 16: [----------] Global test environment tear-down 16: [==========] 32 tests from 7 test cases ran. (0 ms total) 16: [ PASSED ] 32 tests. 16/54 Test #16: MDSpanTests ......................... Passed 0.02 sec test 17 Start 17: OnlineHelpUnitTests 17: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/onlinehelp-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/OnlineHelpUnitTests.xml" 17: Test timeout computed to be: 30 17: [==========] Running 22 tests from 4 test cases. 17: [----------] Global test environment set-up. 17: [----------] 6 tests from TextTableFormatterTest 17: [ RUN ] TextTableFormatterTest.HandlesBasicCase 17: [ OK ] TextTableFormatterTest.HandlesBasicCase (23 ms) 17: [ RUN ] TextTableFormatterTest.HandlesEmptyColumnTitles 17: [ OK ] TextTableFormatterTest.HandlesEmptyColumnTitles (0 ms) 17: [ RUN ] TextTableFormatterTest.HandlesIndentation 17: [ OK ] TextTableFormatterTest.HandlesIndentation (0 ms) 17: [ RUN ] TextTableFormatterTest.HandlesOverflowingLines 17: [ OK ] TextTableFormatterTest.HandlesOverflowingLines (8 ms) 17: [ RUN ] TextTableFormatterTest.HandlesLastColumnFolding 17: [ OK ] TextTableFormatterTest.HandlesLastColumnFolding (0 ms) 17: [ RUN ] TextTableFormatterTest.HandlesEmptyColumns 17: [ OK ] TextTableFormatterTest.HandlesEmptyColumns (0 ms) 17: [----------] 6 tests from TextTableFormatterTest (31 ms total) 17: 17: [----------] 3 tests from HelpManagerTest 17: [ RUN ] HelpManagerTest.HandlesRootTopic 17: [ OK ] HelpManagerTest.HandlesRootTopic (5 ms) 17: [ RUN ] HelpManagerTest.HandlesSubTopics 17: [ OK ] HelpManagerTest.HandlesSubTopics (0 ms) 17: [ RUN ] HelpManagerTest.HandlesInvalidTopics 17: [ OK ] HelpManagerTest.HandlesInvalidTopics (0 ms) 17: [----------] 3 tests from HelpManagerTest (6 ms total) 17: 17: [----------] 2 tests from HelpTopicFormattingTest 17: [ RUN ] HelpTopicFormattingTest.FormatsSimpleTopic 17: [ OK ] HelpTopicFormattingTest.FormatsSimpleTopic (101 ms) 17: [ RUN ] HelpTopicFormattingTest.FormatsCompositeTopicWithSubTopics 17: [ OK ] HelpTopicFormattingTest.FormatsCompositeTopicWithSubTopics (198 ms) 17: [----------] 2 tests from HelpTopicFormattingTest (299 ms total) 17: 17: [----------] 11 tests from HelpWriterContextTest 17: [ RUN ] HelpWriterContextTest.FormatsParagraphs 17: [ OK ] HelpWriterContextTest.FormatsParagraphs (9 ms) 17: [ RUN ] HelpWriterContextTest.FormatsRstStyleParagraphs 17: [ OK ] HelpWriterContextTest.FormatsRstStyleParagraphs (1 ms) 17: [ RUN ] HelpWriterContextTest.CleansUpExtraWhitespace 17: [ OK ] HelpWriterContextTest.CleansUpExtraWhitespace (14 ms) 17: [ RUN ] HelpWriterContextTest.FormatsLiteralText 17: [ OK ] HelpWriterContextTest.FormatsLiteralText (25 ms) 17: [ RUN ] HelpWriterContextTest.FormatsLiteralTextAtBeginning 17: [ OK ] HelpWriterContextTest.FormatsLiteralTextAtBeginning (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsLiteralTextWithIndentation 17: [ OK ] HelpWriterContextTest.FormatsLiteralTextWithIndentation (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsBulletList 17: [ OK ] HelpWriterContextTest.FormatsBulletList (1 ms) 17: [ RUN ] HelpWriterContextTest.FormatsEnumeratedList 17: [ OK ] HelpWriterContextTest.FormatsEnumeratedList (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsSimpleTable 17: [ OK ] HelpWriterContextTest.FormatsSimpleTable (11 ms) 17: [ RUN ] HelpWriterContextTest.FormatsGridTable 17: [ OK ] HelpWriterContextTest.FormatsGridTable (7 ms) 17: [ RUN ] HelpWriterContextTest.FormatsTitles 17: [ OK ] HelpWriterContextTest.FormatsTitles (6 ms) 17: [----------] 11 tests from HelpWriterContextTest (75 ms total) 17: 17: [----------] Global test environment tear-down 17: [==========] 22 tests from 4 test cases ran. (411 ms total) 17: [ PASSED ] 22 tests. 17/54 Test #17: OnlineHelpUnitTests ................. Passed 0.43 sec test 18 Start 18: OptionsUnitTests 18: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/options-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/OptionsUnitTests.xml" 18: Test timeout computed to be: 30 18: [==========] Running 110 tests from 18 test cases. 18: [----------] Global test environment set-up. 18: [----------] 5 tests from AbstractOptionStorageTest 18: [ RUN ] AbstractOptionStorageTest.HandlesSetInFinish 18: [ OK ] AbstractOptionStorageTest.HandlesSetInFinish (0 ms) 18: [ RUN ] AbstractOptionStorageTest.HandlesValueRemoval 18: [ OK ] AbstractOptionStorageTest.HandlesValueRemoval (0 ms) 18: [ RUN ] AbstractOptionStorageTest.HandlesValueAddition 18: [ OK ] AbstractOptionStorageTest.HandlesValueAddition (0 ms) 18: [ RUN ] AbstractOptionStorageTest.HandlesTooManyValueAddition 18: [ OK ] AbstractOptionStorageTest.HandlesTooManyValueAddition (1 ms) 18: [ RUN ] AbstractOptionStorageTest.AllowsEmptyValues 18: [ OK ] AbstractOptionStorageTest.AllowsEmptyValues (0 ms) 18: [----------] 5 tests from AbstractOptionStorageTest (1 ms total) 18: 18: [----------] 8 tests from FileNameOptionTest 18: [ RUN ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension 18: [ OK ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesRequiredOptionWithoutValue 18: [ OK ] FileNameOptionTest.HandlesRequiredOptionWithoutValue (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesOptionalUnsetOption 18: [ OK ] FileNameOptionTest.HandlesOptionalUnsetOption (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesOptionalDefaultValueWithoutExtension 18: [ OK ] FileNameOptionTest.HandlesOptionalDefaultValueWithoutExtension (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesRequiredCustomDefaultExtension 18: [ OK ] FileNameOptionTest.HandlesRequiredCustomDefaultExtension (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesOptionalCustomDefaultExtension 18: [ OK ] FileNameOptionTest.HandlesOptionalCustomDefaultExtension (0 ms) 18: [ RUN ] FileNameOptionTest.GivesErrorOnUnknownFileSuffix 18: [ OK ] FileNameOptionTest.GivesErrorOnUnknownFileSuffix (0 ms) 18: [ RUN ] FileNameOptionTest.GivesErrorOnInvalidFileSuffix 18: [ OK ] FileNameOptionTest.GivesErrorOnInvalidFileSuffix (0 ms) 18: [----------] 8 tests from FileNameOptionTest (0 ms total) 18: 18: [----------] 15 tests from FileNameOptionManagerTest 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtension 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtension (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingCustomDefaultExtension 18: [ OK ] FileNameOptionManagerTest.AddsMissingCustomDefaultExtension (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingGenericInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingGenericInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile (1 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingRequiredInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingRequiredInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AcceptsMissingInputFileIfSpecified 18: [ OK ] FileNameOptionManagerTest.AcceptsMissingInputFileIfSpecified (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AcceptsMissingDefaultInputFileIfSpecified 18: [ OK ] FileNameOptionManagerTest.AcceptsMissingDefaultInputFileIfSpecified (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AcceptsMissingRequiredInputFileIfSpecified 18: [ OK ] FileNameOptionManagerTest.AcceptsMissingRequiredInputFileIfSpecified (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredDefaultNameBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredDefaultNameBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalDefaultNameBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalDefaultNameBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredFromDefaultNameOptionBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredFromDefaultNameOptionBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalFromDefaultNameOptionBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalFromDefaultNameOptionBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.DefaultNameOptionWorksWithoutInputChecking 18: [ OK ] FileNameOptionManagerTest.DefaultNameOptionWorksWithoutInputChecking (0 ms) 18: [----------] 15 tests from FileNameOptionManagerTest (1 ms total) 18: 18: [----------] 1 test from OptionsTest 18: [ RUN ] OptionsTest.FailsOnNonsafeStorage 18: [ OK ] OptionsTest.FailsOnNonsafeStorage (0 ms) 18: [----------] 1 test from OptionsTest (0 ms total) 18: 18: [----------] 9 tests from OptionsAssignerTest 18: [ RUN ] OptionsAssignerTest.HandlesMissingRequiredParameter 18: [ OK ] OptionsAssignerTest.HandlesMissingRequiredParameter (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesRequiredParameterWithDefaultValue 18: [ OK ] OptionsAssignerTest.HandlesRequiredParameterWithDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesInvalidMultipleParameter 18: [ OK ] OptionsAssignerTest.HandlesInvalidMultipleParameter (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesMultipleParameter 18: [ OK ] OptionsAssignerTest.HandlesMultipleParameter (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesMissingValue 18: [ OK ] OptionsAssignerTest.HandlesMissingValue (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesExtraValue 18: [ OK ] OptionsAssignerTest.HandlesExtraValue (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesGroups 18: [ OK ] OptionsAssignerTest.HandlesGroups (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesSections 18: [ OK ] OptionsAssignerTest.HandlesSections (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesMultipleSources 18: [ OK ] OptionsAssignerTest.HandlesMultipleSources (0 ms) 18: [----------] 9 tests from OptionsAssignerTest (0 ms total) 18: 18: [----------] 4 tests from OptionsAssignerBooleanTest 18: [ RUN ] OptionsAssignerBooleanTest.StoresYesValue 18: [ OK ] OptionsAssignerBooleanTest.StoresYesValue (0 ms) 18: [ RUN ] OptionsAssignerBooleanTest.SetsBooleanWithoutExplicitValue 18: [ OK ] OptionsAssignerBooleanTest.SetsBooleanWithoutExplicitValue (0 ms) 18: [ RUN ] OptionsAssignerBooleanTest.ClearsBooleanWithPrefixNo 18: [ OK ] OptionsAssignerBooleanTest.ClearsBooleanWithPrefixNo (0 ms) 18: [ RUN ] OptionsAssignerBooleanTest.HandlesBooleanWithPrefixAndValue 18: [ OK ] OptionsAssignerBooleanTest.HandlesBooleanWithPrefixAndValue (0 ms) 18: [----------] 4 tests from OptionsAssignerBooleanTest (0 ms total) 18: 18: [----------] 13 tests from OptionsAssignerIntegerTest 18: [ RUN ] OptionsAssignerIntegerTest.StoresSingleValue 18: [ OK ] OptionsAssignerIntegerTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesEmptyValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesEmptyValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesInvalidValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesInvalidValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesOverflow 18: [ OK ] OptionsAssignerIntegerTest.HandlesOverflow (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.StoresDefaultValue 18: [ OK ] OptionsAssignerIntegerTest.StoresDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.StoresDefaultValueIfSet 18: [ OK ] OptionsAssignerIntegerTest.StoresDefaultValueIfSet (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesDefaultValueIfSetWhenNotSet 18: [ OK ] OptionsAssignerIntegerTest.HandlesDefaultValueIfSetWhenNotSet (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesBothDefaultValues 18: [ OK ] OptionsAssignerIntegerTest.HandlesBothDefaultValues (1 ms) 18: [ RUN ] OptionsAssignerIntegerTest.StoresToVector 18: [ OK ] OptionsAssignerIntegerTest.StoresToVector (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectors 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectors (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectorFromSingleValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectorFromSingleValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment (0 ms) 18: [----------] 13 tests from OptionsAssignerIntegerTest (1 ms total) 18: 18: [----------] 5 tests from OptionsAssignerDoubleTest 18: [ RUN ] OptionsAssignerDoubleTest.StoresSingleValue 18: [ OK ] OptionsAssignerDoubleTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.StoresValueFromFloat 18: [ OK ] OptionsAssignerDoubleTest.StoresValueFromFloat (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.HandlesEmptyValue 18: [ OK ] OptionsAssignerDoubleTest.HandlesEmptyValue (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.HandlesPreSetScaleValue 18: [ OK ] OptionsAssignerDoubleTest.HandlesPreSetScaleValue (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.HandlesPostSetScaleValue 18: [ OK ] OptionsAssignerDoubleTest.HandlesPostSetScaleValue (0 ms) 18: [----------] 5 tests from OptionsAssignerDoubleTest (0 ms total) 18: 18: [----------] 9 tests from OptionsAssignerStringTest 18: [ RUN ] OptionsAssignerStringTest.StoresSingleValue 18: [ OK ] OptionsAssignerStringTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumValue 18: [ OK ] OptionsAssignerStringTest.HandlesEnumValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumValueFromNullTerminatedArray 18: [ OK ] OptionsAssignerStringTest.HandlesEnumValueFromNullTerminatedArray (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesIncorrectEnumValue 18: [ OK ] OptionsAssignerStringTest.HandlesIncorrectEnumValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.CompletesEnumValue 18: [ OK ] OptionsAssignerStringTest.CompletesEnumValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumWithNoValue 18: [ OK ] OptionsAssignerStringTest.HandlesEnumWithNoValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumDefaultValue 18: [ OK ] OptionsAssignerStringTest.HandlesEnumDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVariable 18: [ OK ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVariable (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVector 18: [ OK ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVector (0 ms) 18: [----------] 9 tests from OptionsAssignerStringTest (0 ms total) 18: 18: [----------] 6 tests from OptionsAssignerEnumTest 18: [ RUN ] OptionsAssignerEnumTest.StoresSingleValue 18: [ OK ] OptionsAssignerEnumTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.StoresVectorValues 18: [ OK ] OptionsAssignerEnumTest.StoresVectorValues (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesInitialValueOutOfRange 18: [ OK ] OptionsAssignerEnumTest.HandlesInitialValueOutOfRange (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesEnumDefaultValue 18: [ OK ] OptionsAssignerEnumTest.HandlesEnumDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVariable 18: [ OK ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVariable (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVector 18: [ OK ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVector (0 ms) 18: [----------] 6 tests from OptionsAssignerEnumTest (0 ms total) 18: 18: [----------] 8 tests from RepeatingOptionSectionTest 18: [ RUN ] RepeatingOptionSectionTest.HandlesNoInstance 18: [ OK ] RepeatingOptionSectionTest.HandlesNoInstance (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesNoInstanceWithRequiredOption 18: [ OK ] RepeatingOptionSectionTest.HandlesNoInstanceWithRequiredOption (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesSingleInstance 18: [ OK ] RepeatingOptionSectionTest.HandlesSingleInstance (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesDefaultValue 18: [ OK ] RepeatingOptionSectionTest.HandlesDefaultValue (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesTwoInstances 18: [ OK ] RepeatingOptionSectionTest.HandlesTwoInstances (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesUnsetOptionWithImplicitDefault 18: [ OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithImplicitDefault (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesUnsetOptionWithExplicitDefault 18: [ OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithExplicitDefault (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesNestedSections 18: [ OK ] RepeatingOptionSectionTest.HandlesNestedSections (0 ms) 18: [----------] 8 tests from RepeatingOptionSectionTest (0 ms total) 18: 18: [----------] 1 test from TimeUnitManagerTest 18: [ RUN ] TimeUnitManagerTest.BasicOperations 18: [ OK ] TimeUnitManagerTest.BasicOperations (0 ms) 18: [----------] 1 test from TimeUnitManagerTest (0 ms total) 18: 18: [----------] 4 tests from TimeUnitBehaviorTest 18: [ RUN ] TimeUnitBehaviorTest.ScalesAssignedOptionValue 18: [ OK ] TimeUnitBehaviorTest.ScalesAssignedOptionValue (0 ms) 18: [ RUN ] TimeUnitBehaviorTest.DoesNotScaleDefaultValues 18: [ OK ] TimeUnitBehaviorTest.DoesNotScaleDefaultValues (0 ms) 18: [ RUN ] TimeUnitBehaviorTest.ScalesUserInputWithMultipleSources 18: [ OK ] TimeUnitBehaviorTest.ScalesUserInputWithMultipleSources (0 ms) 18: [ RUN ] TimeUnitBehaviorTest.TimeUnitOptionWorks 18: [ OK ] TimeUnitBehaviorTest.TimeUnitOptionWorks (0 ms) 18: [----------] 4 tests from TimeUnitBehaviorTest (0 ms total) 18: 18: [----------] 2 tests from TreeValueSupportAssignTest 18: [ RUN ] TreeValueSupportAssignTest.AssignsFromTree 18: [ OK ] TreeValueSupportAssignTest.AssignsFromTree (0 ms) 18: [ RUN ] TreeValueSupportAssignTest.AssignsFromTreeWithArrays 18: [ OK ] TreeValueSupportAssignTest.AssignsFromTreeWithArrays (0 ms) 18: [----------] 2 tests from TreeValueSupportAssignTest (1 ms total) 18: 18: [----------] 1 test from TreeValueSupportAssignErrorTest 18: [ RUN ] TreeValueSupportAssignErrorTest.HandlesInvalidValue 18: [ OK ] TreeValueSupportAssignErrorTest.HandlesInvalidValue (0 ms) 18: [----------] 1 test from TreeValueSupportAssignErrorTest (0 ms total) 18: 18: [----------] 5 tests from TreeValueSupportCheckTest 18: [ RUN ] TreeValueSupportCheckTest.HandlesEmpty 18: [ OK ] TreeValueSupportCheckTest.HandlesEmpty (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.HandlesMatchingTree 18: [ OK ] TreeValueSupportCheckTest.HandlesMatchingTree (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.HandlesSmallerTree1 18: [ OK ] TreeValueSupportCheckTest.HandlesSmallerTree1 (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.HandlesSmallerTree2 18: [ OK ] TreeValueSupportCheckTest.HandlesSmallerTree2 (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.DetectsExtraValue 18: [ OK ] TreeValueSupportCheckTest.DetectsExtraValue (0 ms) 18: [----------] 5 tests from TreeValueSupportCheckTest (0 ms total) 18: 18: [----------] 6 tests from TreeValueSupportAdjustTest 18: [ RUN ] TreeValueSupportAdjustTest.FillsDefaultValues 18: [ OK ] TreeValueSupportAdjustTest.FillsDefaultValues (11 ms) 18: [ RUN ] TreeValueSupportAdjustTest.FillsDefaultVectorValues 18: [ OK ] TreeValueSupportAdjustTest.FillsDefaultVectorValues (6 ms) 18: [ RUN ] TreeValueSupportAdjustTest.FillsDefaultObjectValues 18: [ OK ] TreeValueSupportAdjustTest.FillsDefaultObjectValues (9 ms) 18: [ RUN ] TreeValueSupportAdjustTest.NormalizesValues 18: [ OK ] TreeValueSupportAdjustTest.NormalizesValues (3 ms) 18: [ RUN ] TreeValueSupportAdjustTest.MergesDefaultValues 18: [ OK ] TreeValueSupportAdjustTest.MergesDefaultValues (5 ms) 18: [ RUN ] TreeValueSupportAdjustTest.OrdersValues 18: [ OK ] TreeValueSupportAdjustTest.OrdersValues (0 ms) 18: [----------] 6 tests from TreeValueSupportAdjustTest (34 ms total) 18: 18: [----------] 8 tests from TreeValueSupportTest 18: [ RUN ] TreeValueSupportTest.SupportsBooleanOption 18: [ OK ] TreeValueSupportTest.SupportsBooleanOption (8 ms) 18: [ RUN ] TreeValueSupportTest.SupportsIntegerOption 18: [ OK ] TreeValueSupportTest.SupportsIntegerOption (4 ms) 18: [ RUN ] TreeValueSupportTest.SupportsInt64Option 18: [ OK ] TreeValueSupportTest.SupportsInt64Option (0 ms) 18: [ RUN ] TreeValueSupportTest.SupportsStringOption 18: [ OK ] TreeValueSupportTest.SupportsStringOption (1 ms) 18: [ RUN ] TreeValueSupportTest.SupportsFloatOption 18: [ OK ] TreeValueSupportTest.SupportsFloatOption (0 ms) 18: [ RUN ] TreeValueSupportTest.SupportsDoubleOption 18: [ OK ] TreeValueSupportTest.SupportsDoubleOption (4 ms) 18: [ RUN ] TreeValueSupportTest.SupportsEnumIntOption 18: [ OK ] TreeValueSupportTest.SupportsEnumIntOption (1 ms) 18: [ RUN ] TreeValueSupportTest.SupportsEnumOption 18: [ OK ] TreeValueSupportTest.SupportsEnumOption (8 ms) 18: [----------] 8 tests from TreeValueSupportTest (26 ms total) 18: 18: [----------] Global test environment tear-down 18: [==========] 110 tests from 18 test cases ran. (64 ms total) 18: [ PASSED ] 110 tests. 18/54 Test #18: OptionsUnitTests .................... Passed 0.13 sec test 19 Start 19: PbcutilUnitTest 19: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/pbcutil-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/PbcutilUnitTest.xml" 19: Test timeout computed to be: 30 19: [==========] Running 3 tests from 2 test cases. 19: [----------] Global test environment set-up. 19: [----------] 1 test from PbcTest 19: [ RUN ] PbcTest.CalcShiftsWorks 19: [ OK ] PbcTest.CalcShiftsWorks (7 ms) 19: [----------] 1 test from PbcTest (7 ms total) 19: 19: [----------] 2 tests from PbcEnumsTest 19: [ RUN ] PbcEnumsTest.CenteringTypeNamesAreCorrect 19: [ OK ] PbcEnumsTest.CenteringTypeNamesAreCorrect (0 ms) 19: [ RUN ] PbcEnumsTest.UnitCellTypeNamesAreCorrect 19: [ OK ] PbcEnumsTest.UnitCellTypeNamesAreCorrect (0 ms) 19: [----------] 2 tests from PbcEnumsTest (0 ms total) 19: 19: [----------] Global test environment tear-down 19: [==========] 3 tests from 2 test cases ran. (7 ms total) 19: [ PASSED ] 3 tests. 19/54 Test #19: PbcutilUnitTest ..................... Passed 0.03 sec test 20 Start 20: RandomUnitTests 20: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/random-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/RandomUnitTests.xml" 20: Test timeout computed to be: 30 20: [==========] Running 44 tests from 10 test cases. 20: [----------] Global test environment set-up. 20: [----------] 4 tests from ExponentialDistributionTest 20: [ RUN ] ExponentialDistributionTest.Output 20: [ OK ] ExponentialDistributionTest.Output (11 ms) 20: [ RUN ] ExponentialDistributionTest.Logical 20: [ OK ] ExponentialDistributionTest.Logical (0 ms) 20: [ RUN ] ExponentialDistributionTest.Reset 20: [ OK ] ExponentialDistributionTest.Reset (0 ms) 20: [ RUN ] ExponentialDistributionTest.AltParam 20: [ OK ] ExponentialDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from ExponentialDistributionTest (11 ms total) 20: 20: [----------] 4 tests from GammaDistributionTest 20: [ RUN ] GammaDistributionTest.Output 20: [ OK ] GammaDistributionTest.Output (5 ms) 20: [ RUN ] GammaDistributionTest.Logical 20: [ OK ] GammaDistributionTest.Logical (0 ms) 20: [ RUN ] GammaDistributionTest.Reset 20: [ OK ] GammaDistributionTest.Reset (0 ms) 20: [ RUN ] GammaDistributionTest.AltParam 20: [ OK ] GammaDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from GammaDistributionTest (5 ms total) 20: 20: [----------] 4 tests from NormalDistributionTest 20: [ RUN ] NormalDistributionTest.Output 20: [ OK ] NormalDistributionTest.Output (74 ms) 20: [ RUN ] NormalDistributionTest.Logical 20: [ OK ] NormalDistributionTest.Logical (0 ms) 20: [ RUN ] NormalDistributionTest.Reset 20: [ OK ] NormalDistributionTest.Reset (0 ms) 20: [ RUN ] NormalDistributionTest.AltParam 20: [ OK ] NormalDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from NormalDistributionTest (74 ms total) 20: 20: [----------] 1 test from SeedTest 20: [ RUN ] SeedTest.makeRandomSeed 20: [ OK ] SeedTest.makeRandomSeed (23 ms) 20: [----------] 1 test from SeedTest (23 ms total) 20: 20: [----------] 6 tests from TabulatedNormalDistributionTest 20: [ RUN ] TabulatedNormalDistributionTest.Output14 20: [ OK ] TabulatedNormalDistributionTest.Output14 (10 ms) 20: [ RUN ] TabulatedNormalDistributionTest.Output16 20: [ OK ] TabulatedNormalDistributionTest.Output16 (25 ms) 20: [ RUN ] TabulatedNormalDistributionTest.OutputDouble14 20: [ OK ] TabulatedNormalDistributionTest.OutputDouble14 (33 ms) 20: [ RUN ] TabulatedNormalDistributionTest.Logical 20: [ OK ] TabulatedNormalDistributionTest.Logical (0 ms) 20: [ RUN ] TabulatedNormalDistributionTest.Reset 20: [ OK ] TabulatedNormalDistributionTest.Reset (0 ms) 20: [ RUN ] TabulatedNormalDistributionTest.AltParam 20: [ OK ] TabulatedNormalDistributionTest.AltParam (0 ms) 20: [----------] 6 tests from TabulatedNormalDistributionTest (68 ms total) 20: 20: [----------] 1 test from TabulatedNormalDistributionTableTest 20: [ RUN ] TabulatedNormalDistributionTableTest.HasValidProperties 20: [ OK ] TabulatedNormalDistributionTableTest.HasValidProperties (1 ms) 20: [----------] 1 test from TabulatedNormalDistributionTableTest (1 ms total) 20: 20: [----------] 6 tests from ThreeFry2x64Test 20: [ RUN ] ThreeFry2x64Test.Logical 20: [ OK ] ThreeFry2x64Test.Logical (0 ms) 20: [ RUN ] ThreeFry2x64Test.InternalCounterSequence 20: [ OK ] ThreeFry2x64Test.InternalCounterSequence (38 ms) 20: [ RUN ] ThreeFry2x64Test.Reseed 20: [ OK ] ThreeFry2x64Test.Reseed (0 ms) 20: [ RUN ] ThreeFry2x64Test.Discard 20: [ OK ] ThreeFry2x64Test.Discard (0 ms) 20: [ RUN ] ThreeFry2x64Test.InvalidCounter 20: [ OK ] ThreeFry2x64Test.InvalidCounter (0 ms) 20: [ RUN ] ThreeFry2x64Test.ExhaustInternalCounter 20: [ OK ] ThreeFry2x64Test.ExhaustInternalCounter (0 ms) 20: [----------] 6 tests from ThreeFry2x64Test (38 ms total) 20: 20: [----------] 4 tests from UniformIntDistributionTest 20: [ RUN ] UniformIntDistributionTest.Output 20: [ OK ] UniformIntDistributionTest.Output (18 ms) 20: [ RUN ] UniformIntDistributionTest.Logical 20: [ OK ] UniformIntDistributionTest.Logical (0 ms) 20: [ RUN ] UniformIntDistributionTest.Reset 20: [ OK ] UniformIntDistributionTest.Reset (0 ms) 20: [ RUN ] UniformIntDistributionTest.AltParam 20: [ OK ] UniformIntDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from UniformIntDistributionTest (18 ms total) 20: 20: [----------] 5 tests from UniformRealDistributionTest 20: [ RUN ] UniformRealDistributionTest.GenerateCanonical 20: [ OK ] UniformRealDistributionTest.GenerateCanonical (6 ms) 20: [ RUN ] UniformRealDistributionTest.Output 20: [ OK ] UniformRealDistributionTest.Output (0 ms) 20: [ RUN ] UniformRealDistributionTest.Logical 20: [ OK ] UniformRealDistributionTest.Logical (0 ms) 20: [ RUN ] UniformRealDistributionTest.Reset 20: [ OK ] UniformRealDistributionTest.Reset (0 ms) 20: [ RUN ] UniformRealDistributionTest.AltParam 20: [ OK ] UniformRealDistributionTest.AltParam (0 ms) 20: [----------] 5 tests from UniformRealDistributionTest (7 ms total) 20: 20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Default/0 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Default/0 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Default/1 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Default/1 (3 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Default/2 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Default/2 (13 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Fast/0 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/0 (12 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Fast/1 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/1 (10 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Fast/2 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/2 (1 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/0 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/0 (2 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/1 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/1 (1 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2 (1 ms) 20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (43 ms total) 20: 20: [----------] Global test environment tear-down 20: [==========] 44 tests from 10 test cases ran. (288 ms total) 20: [ PASSED ] 44 tests. 20/54 Test #20: RandomUnitTests ..................... Passed 0.33 sec test 21 Start 21: RestraintTests 21: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/restraintpotential-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/RestraintTests.xml" 21: Test timeout computed to be: 30 21: [==========] Running 1 test from 1 test case. 21: [----------] Global test environment set-up. 21: [----------] 1 test from RestraintManager 21: [ RUN ] RestraintManager.restraintList 21: [ OK ] RestraintManager.restraintList (0 ms) 21: [----------] 1 test from RestraintManager (0 ms total) 21: 21: [----------] Global test environment tear-down 21: [==========] 1 test from 1 test case ran. (0 ms total) 21: [ PASSED ] 1 test. 21/54 Test #21: RestraintTests ...................... Passed 0.04 sec test 22 Start 22: TableUnitTests 22: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/table-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/TableUnitTests.xml" 22: Test timeout computed to be: 30 22: [==========] Running 20 tests from 2 test cases. 22: [----------] Global test environment set-up. 22: [----------] 10 tests from SplineTableTest/0, where TypeParam = gmx::QuadraticSplineTable 22: [ RUN ] SplineTableTest/0.HandlesIncorrectInput 22: [ OK ] SplineTableTest/0.HandlesIncorrectInput (1 ms) 22: [ RUN ] SplineTableTest/0.Sinc 22: [ OK ] SplineTableTest/0.Sinc (1 ms) 22: [ RUN ] SplineTableTest/0.LJ12 22: [ OK ] SplineTableTest/0.LJ12 (16 ms) 22: [ RUN ] SplineTableTest/0.PmeCorrection 22: [ OK ] SplineTableTest/0.PmeCorrection (1 ms) 22: [ RUN ] SplineTableTest/0.HandlesIncorrectNumericalInput 22: [ OK ] SplineTableTest/0.HandlesIncorrectNumericalInput (1 ms) 22: [ RUN ] SplineTableTest/0.NumericalInputPmeCorr 22: [ OK ] SplineTableTest/0.NumericalInputPmeCorr (2 ms) 22: [ RUN ] SplineTableTest/0.TwoFunctions 22: [ OK ] SplineTableTest/0.TwoFunctions (35 ms) 22: [ RUN ] SplineTableTest/0.ThreeFunctions 22: [ OK ] SplineTableTest/0.ThreeFunctions (32 ms) 22: [ RUN ] SplineTableTest/0.Simd 22: [ OK ] SplineTableTest/0.Simd (7 ms) 22: [ RUN ] SplineTableTest/0.SimdTwoFunctions 22: [ OK ] SplineTableTest/0.SimdTwoFunctions (44 ms) 22: [----------] 10 tests from SplineTableTest/0 (140 ms total) 22: 22: [----------] 10 tests from SplineTableTest/1, where TypeParam = gmx::CubicSplineTable 22: [ RUN ] SplineTableTest/1.HandlesIncorrectInput 22: [ OK ] SplineTableTest/1.HandlesIncorrectInput (1 ms) 22: [ RUN ] SplineTableTest/1.Sinc 22: [ OK ] SplineTableTest/1.Sinc (0 ms) 22: [ RUN ] SplineTableTest/1.LJ12 22: [ OK ] SplineTableTest/1.LJ12 (2 ms) 22: [ RUN ] SplineTableTest/1.PmeCorrection 22: [ OK ] SplineTableTest/1.PmeCorrection (1 ms) 22: [ RUN ] SplineTableTest/1.HandlesIncorrectNumericalInput 22: [ OK ] SplineTableTest/1.HandlesIncorrectNumericalInput (0 ms) 22: [ RUN ] SplineTableTest/1.NumericalInputPmeCorr 22: [ OK ] SplineTableTest/1.NumericalInputPmeCorr (1 ms) 22: [ RUN ] SplineTableTest/1.TwoFunctions 22: [ OK ] SplineTableTest/1.TwoFunctions (4 ms) 22: [ RUN ] SplineTableTest/1.ThreeFunctions 22: [ OK ] SplineTableTest/1.ThreeFunctions (3 ms) 22: [ RUN ] SplineTableTest/1.Simd 22: [ OK ] SplineTableTest/1.Simd (2 ms) 22: [ RUN ] SplineTableTest/1.SimdTwoFunctions 22: [ OK ] SplineTableTest/1.SimdTwoFunctions (5 ms) 22: [----------] 10 tests from SplineTableTest/1 (19 ms total) 22: 22: [----------] Global test environment tear-down 22: [==========] 20 tests from 2 test cases ran. (159 ms total) 22: [ PASSED ] 20 tests. 22/54 Test #22: TableUnitTests ...................... Passed 0.29 sec test 23 Start 23: TaskAssignmentUnitTests 23: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/taskassignment-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/TaskAssignmentUnitTests.xml" 23: Test timeout computed to be: 30 23: [==========] Running 3 tests from 2 test cases. 23: [----------] Global test environment set-up. 23: [----------] 2 tests from UserTaskAssignmentStringHandlingTest 23: [ RUN ] UserTaskAssignmentStringHandlingTest.ParsingAndReconstructionWork 23: [ OK ] UserTaskAssignmentStringHandlingTest.ParsingAndReconstructionWork (0 ms) 23: [ RUN ] UserTaskAssignmentStringHandlingTest.EmptyStringCanBeValid 23: [ OK ] UserTaskAssignmentStringHandlingTest.EmptyStringCanBeValid (0 ms) 23: [----------] 2 tests from UserTaskAssignmentStringHandlingTest (0 ms total) 23: 23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest 23: [ RUN ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow 23: [ OK ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow (0 ms) 23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest (1 ms total) 23: 23: [----------] Global test environment tear-down 23: [==========] 3 tests from 2 test cases ran. (1 ms total) 23: [ PASSED ] 3 tests. 23/54 Test #23: TaskAssignmentUnitTests ............. Passed 0.03 sec test 24 Start 24: TopologyTest 24: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/topology-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/TopologyTest.xml" 24: Test timeout computed to be: 30 24: [==========] Running 11 tests from 3 test cases. 24: [----------] Global test environment set-up. 24: [----------] 3 tests from ExclusionBlockTest 24: [ RUN ] ExclusionBlockTest.ConvertBlockAToExclusionBlocks 24: [ OK ] ExclusionBlockTest.ConvertBlockAToExclusionBlocks (0 ms) 24: [ RUN ] ExclusionBlockTest.ConvertExclusionBlockToBlocka 24: [ OK ] ExclusionBlockTest.ConvertExclusionBlockToBlocka (0 ms) 24: [ RUN ] ExclusionBlockTest.MergeExclusions 24: [ OK ] ExclusionBlockTest.MergeExclusions (0 ms) 24: [----------] 3 tests from ExclusionBlockTest (0 ms total) 24: 24: [----------] 2 tests from MtopTest 24: [ RUN ] MtopTest.RangeBasedLoop 24: [ OK ] MtopTest.RangeBasedLoop (0 ms) 24: [ RUN ] MtopTest.Operators 24: [ OK ] MtopTest.Operators (0 ms) 24: [----------] 2 tests from MtopTest (0 ms total) 24: 24: [----------] 6 tests from SymtabTest 24: [ RUN ] SymtabTest.EmptyOnOpen 24: [ OK ] SymtabTest.EmptyOnOpen (5 ms) 24: [ RUN ] SymtabTest.AddSingleEntry 24: [ OK ] SymtabTest.AddSingleEntry (0 ms) 24: [ RUN ] SymtabTest.AddTwoDistinctEntries 24: [ OK ] SymtabTest.AddTwoDistinctEntries (0 ms) 24: [ RUN ] SymtabTest.TryToAddDuplicates 24: [ OK ] SymtabTest.TryToAddDuplicates (0 ms) 24: [ RUN ] SymtabTest.AddLargeNumberOfEntries 24: [ OK ] SymtabTest.AddLargeNumberOfEntries (597 ms) 24: [ RUN ] SymtabTest.NoDuplicatesInLargeTable 24: [ OK ] SymtabTest.NoDuplicatesInLargeTable (8 ms) 24: [----------] 6 tests from SymtabTest (610 ms total) 24: 24: [----------] Global test environment tear-down 24: [==========] 11 tests from 3 test cases ran. (610 ms total) 24: [ PASSED ] 11 tests. 24/54 Test #24: TopologyTest ........................ Passed 0.66 sec test 25 Start 25: PullTest 25: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/pull-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/PullTest.xml" 25: Test timeout computed to be: 30 25: [==========] Running 5 tests from 1 test case. 25: [----------] Global test environment set-up. 25: [----------] 5 tests from PullTest 25: [ RUN ] PullTest.MaxPullDistanceXyzScrewBox 25: [ OK ] PullTest.MaxPullDistanceXyzScrewBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXyzCubicBox 25: [ OK ] PullTest.MaxPullDistanceXyzCubicBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXyzTricBox 25: [ OK ] PullTest.MaxPullDistanceXyzTricBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXyzLongBox 25: [ OK ] PullTest.MaxPullDistanceXyzLongBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXySkewedBox 25: [ OK ] PullTest.MaxPullDistanceXySkewedBox (0 ms) 25: [----------] 5 tests from PullTest (0 ms total) 25: 25: [----------] Global test environment tear-down 25: [==========] 5 tests from 1 test case ran. (0 ms total) 25: [ PASSED ] 5 tests. 25/54 Test #25: PullTest ............................ Passed 0.05 sec test 26 Start 26: AwhTest 26: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/awh-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/AwhTest.xml" 26: Test timeout computed to be: 30 26: [==========] Running 12 tests from 4 test cases. 26: [----------] Global test environment set-up. 26: [----------] 1 test from BiasTest 26: [ RUN ] BiasTest.DetectsCovering 26: [ OK ] BiasTest.DetectsCovering (0 ms) 26: [----------] 1 test from BiasTest (0 ms total) 26: 26: [----------] 1 test from gridTest 26: [ RUN ] gridTest.neighborhood 26: [ OK ] gridTest.neighborhood (2 ms) 26: [----------] 1 test from gridTest (2 ms total) 26: 26: [----------] 8 tests from WithParameters/BiasTest 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/0 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/0 (50 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/1 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/1 (29 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/2 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/2 (101 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/3 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/3 (8 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/4 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/4 (6 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/5 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/5 (5 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/6 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/6 (32 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/7 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/7 (35 ms) 26: [----------] 8 tests from WithParameters/BiasTest (267 ms total) 26: 26: [----------] 2 tests from WithParameters/BiasStateTest 26: [ RUN ] WithParameters/BiasStateTest.InitializesFromFile/0 26: [ OK ] WithParameters/BiasStateTest.InitializesFromFile/0 (16 ms) 26: [ RUN ] WithParameters/BiasStateTest.InitializesFromFile/1 26: [ OK ] WithParameters/BiasStateTest.InitializesFromFile/1 (6 ms) 26: [----------] 2 tests from WithParameters/BiasStateTest (22 ms total) 26: 26: [----------] Global test environment tear-down 26: [==========] 12 tests from 4 test cases ran. (291 ms total) 26: [ PASSED ] 12 tests. 26/54 Test #26: AwhTest ............................. Passed 0.35 sec test 27 Start 27: SimdUnitTests 27: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/simd-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/SimdUnitTests.xml" 27: Test timeout computed to be: 30 27: [==========] Running 288 tests from 22 test cases. 27: [----------] Global test environment set-up. 27: [----------] 9 tests from SimdBootstrapTest 27: [ RUN ] SimdBootstrapTest.loadStore 27: [ OK ] SimdBootstrapTest.loadStore (0 ms) 27: [ RUN ] SimdBootstrapTest.loadU 27: [ OK ] SimdBootstrapTest.loadU (0 ms) 27: [ RUN ] SimdBootstrapTest.storeU 27: [ OK ] SimdBootstrapTest.storeU (0 ms) 27: [ RUN ] SimdBootstrapTest.loadStoreI 27: [ OK ] SimdBootstrapTest.loadStoreI (0 ms) 27: [ RUN ] SimdBootstrapTest.loadUI 27: [ OK ] SimdBootstrapTest.loadUI (0 ms) 27: [ RUN ] SimdBootstrapTest.storeUI 27: [ OK ] SimdBootstrapTest.storeUI (0 ms) 27: [ RUN ] SimdBootstrapTest.simd4LoadStore 27: [ OK ] SimdBootstrapTest.simd4LoadStore (0 ms) 27: [ RUN ] SimdBootstrapTest.simd4LoadU 27: [ OK ] SimdBootstrapTest.simd4LoadU (0 ms) 27: [ RUN ] SimdBootstrapTest.simd4StoreU 27: [ OK ] SimdBootstrapTest.simd4StoreU (0 ms) 27: [----------] 9 tests from SimdBootstrapTest (0 ms total) 27: 27: [----------] 1 test from SimdTest 27: [ RUN ] SimdTest.GmxAligned 27: [ OK ] SimdTest.GmxAligned (0 ms) 27: [----------] 1 test from SimdTest (0 ms total) 27: 27: [----------] 42 tests from SimdFloatingpointTest 27: [ RUN ] SimdFloatingpointTest.setZero 27: [ OK ] SimdFloatingpointTest.setZero (0 ms) 27: [ RUN ] SimdFloatingpointTest.set 27: [ OK ] SimdFloatingpointTest.set (0 ms) 27: [ RUN ] SimdFloatingpointTest.add 27: [ OK ] SimdFloatingpointTest.add (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskAdd 27: [ OK ] SimdFloatingpointTest.maskAdd (0 ms) 27: [ RUN ] SimdFloatingpointTest.sub 27: [ OK ] SimdFloatingpointTest.sub (0 ms) 27: [ RUN ] SimdFloatingpointTest.mul 27: [ OK ] SimdFloatingpointTest.mul (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzMul 27: [ OK ] SimdFloatingpointTest.maskzMul (0 ms) 27: [ RUN ] SimdFloatingpointTest.fma 27: [ OK ] SimdFloatingpointTest.fma (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzFma 27: [ OK ] SimdFloatingpointTest.maskzFma (0 ms) 27: [ RUN ] SimdFloatingpointTest.fms 27: [ OK ] SimdFloatingpointTest.fms (0 ms) 27: [ RUN ] SimdFloatingpointTest.fnma 27: [ OK ] SimdFloatingpointTest.fnma (0 ms) 27: [ RUN ] SimdFloatingpointTest.fnms 27: [ OK ] SimdFloatingpointTest.fnms (0 ms) 27: [ RUN ] SimdFloatingpointTest.abs 27: [ OK ] SimdFloatingpointTest.abs (0 ms) 27: [ RUN ] SimdFloatingpointTest.neg 27: [ OK ] SimdFloatingpointTest.neg (0 ms) 27: [ RUN ] SimdFloatingpointTest.and 27: [ OK ] SimdFloatingpointTest.and (0 ms) 27: [ RUN ] SimdFloatingpointTest.or 27: [ OK ] SimdFloatingpointTest.or (0 ms) 27: [ RUN ] SimdFloatingpointTest.xor 27: [ OK ] SimdFloatingpointTest.xor (0 ms) 27: [ RUN ] SimdFloatingpointTest.andNot 27: [ OK ] SimdFloatingpointTest.andNot (0 ms) 27: [ RUN ] SimdFloatingpointTest.max 27: [ OK ] SimdFloatingpointTest.max (0 ms) 27: [ RUN ] SimdFloatingpointTest.min 27: [ OK ] SimdFloatingpointTest.min (0 ms) 27: [ RUN ] SimdFloatingpointTest.round 27: [ OK ] SimdFloatingpointTest.round (0 ms) 27: [ RUN ] SimdFloatingpointTest.roundMode 27: [ OK ] SimdFloatingpointTest.roundMode (0 ms) 27: [ RUN ] SimdFloatingpointTest.trunc 27: [ OK ] SimdFloatingpointTest.trunc (0 ms) 27: [ RUN ] SimdFloatingpointTest.frexp 27: [ OK ] SimdFloatingpointTest.frexp (0 ms) 27: [ RUN ] SimdFloatingpointTest.ldexp 27: [ OK ] SimdFloatingpointTest.ldexp (0 ms) 27: [ RUN ] SimdFloatingpointTest.rsqrt 27: [ OK ] SimdFloatingpointTest.rsqrt (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzRsqrt 27: [ OK ] SimdFloatingpointTest.maskzRsqrt (0 ms) 27: [ RUN ] SimdFloatingpointTest.rcp 27: [ OK ] SimdFloatingpointTest.rcp (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzRcp 27: [ OK ] SimdFloatingpointTest.maskzRcp (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpEqAndSelectByMask 27: [ OK ] SimdFloatingpointTest.cmpEqAndSelectByMask (0 ms) 27: [ RUN ] SimdFloatingpointTest.selectByNotMask 27: [ OK ] SimdFloatingpointTest.selectByNotMask (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpNe 27: [ OK ] SimdFloatingpointTest.cmpNe (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpLe 27: [ OK ] SimdFloatingpointTest.cmpLe (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpLt 27: [ OK ] SimdFloatingpointTest.cmpLt (0 ms) 27: [ RUN ] SimdFloatingpointTest.testBits 27: [ OK ] SimdFloatingpointTest.testBits (0 ms) 27: [ RUN ] SimdFloatingpointTest.andB 27: [ OK ] SimdFloatingpointTest.andB (0 ms) 27: [ RUN ] SimdFloatingpointTest.orB 27: [ OK ] SimdFloatingpointTest.orB (0 ms) 27: [ RUN ] SimdFloatingpointTest.anyTrueB 27: [ OK ] SimdFloatingpointTest.anyTrueB (0 ms) 27: [ RUN ] SimdFloatingpointTest.blend 27: [ OK ] SimdFloatingpointTest.blend (0 ms) 27: [ RUN ] SimdFloatingpointTest.reduce 27: [ OK ] SimdFloatingpointTest.reduce (0 ms) 27: [ RUN ] SimdFloatingpointTest.cvtFloat2Double 27: [ OK ] SimdFloatingpointTest.cvtFloat2Double (0 ms) 27: [ RUN ] SimdFloatingpointTest.cvtDouble2Float 27: [ OK ] SimdFloatingpointTest.cvtDouble2Float (0 ms) 27: [----------] 42 tests from SimdFloatingpointTest (0 ms total) 27: 27: [----------] 16 tests from SimdFloatingpointUtilTest 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadTranspose4 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadTranspose4 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadTranspose2 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadTranspose2 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadUTranspose3 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadUTranspose3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterStoreU3 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterStoreU3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterIncrU3 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterIncrU3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterIncrU3Overlapping 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterIncrU3Overlapping (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterDecrU3 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterDecrU3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterDecrU3Overlapping 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterDecrU3Overlapping (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.expandScalarsToTriplets 27: [ OK ] SimdFloatingpointUtilTest.expandScalarsToTriplets (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose4 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose4 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose2 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose2 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadUBySimdIntTranspose2 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadUBySimdIntTranspose2 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.reduceIncr4Sum 27: [ OK ] SimdFloatingpointUtilTest.reduceIncr4Sum (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.loadUNDuplicate4 27: [ OK ] SimdFloatingpointUtilTest.loadUNDuplicate4 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.load4DuplicateN 27: [ OK ] SimdFloatingpointUtilTest.load4DuplicateN (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.loadU4NOffset 27: [ OK ] SimdFloatingpointUtilTest.loadU4NOffset (0 ms) 27: [----------] 16 tests from SimdFloatingpointUtilTest (0 ms total) 27: 27: [----------] 3 tests from SimdVectorOperationsTest 27: [ RUN ] SimdVectorOperationsTest.iprod 27: [ OK ] SimdVectorOperationsTest.iprod (0 ms) 27: [ RUN ] SimdVectorOperationsTest.norm2 27: [ OK ] SimdVectorOperationsTest.norm2 (0 ms) 27: [ RUN ] SimdVectorOperationsTest.cprod 27: [ OK ] SimdVectorOperationsTest.cprod (0 ms) 27: [----------] 3 tests from SimdVectorOperationsTest (0 ms total) 27: 27: [----------] 56 tests from SimdMathTest 27: [ RUN ] SimdMathTest.generateTestPointsFloat 27: [ OK ] SimdMathTest.generateTestPointsFloat (220 ms) 27: [ RUN ] SimdMathTest.copysign 27: [ OK ] SimdMathTest.copysign (0 ms) 27: [ RUN ] SimdMathTest.invsqrt 27: [ OK ] SimdMathTest.invsqrt (1 ms) 27: [ RUN ] SimdMathTest.maskzInvsqrt 27: [ OK ] SimdMathTest.maskzInvsqrt (0 ms) 27: [ RUN ] SimdMathTest.invsqrtPair 27: [ OK ] SimdMathTest.invsqrtPair (0 ms) 27: [ RUN ] SimdMathTest.sqrt 27: [ OK ] SimdMathTest.sqrt (0 ms) 27: [ RUN ] SimdMathTest.sqrtUnsafe 27: [ OK ] SimdMathTest.sqrtUnsafe (1 ms) 27: [ RUN ] SimdMathTest.inv 27: [ OK ] SimdMathTest.inv (3 ms) 27: [ RUN ] SimdMathTest.maskzInv 27: [ OK ] SimdMathTest.maskzInv (0 ms) 27: [ RUN ] SimdMathTest.cbrt 27: [ OK ] SimdMathTest.cbrt (2 ms) 27: [ RUN ] SimdMathTest.invcbrt 27: [ OK ] SimdMathTest.invcbrt (2 ms) 27: [ RUN ] SimdMathTest.log2 27: [ OK ] SimdMathTest.log2 (0 ms) 27: [ RUN ] SimdMathTest.log 27: [ OK ] SimdMathTest.log (1 ms) 27: [ RUN ] SimdMathTest.exp2 27: [ OK ] SimdMathTest.exp2 (2 ms) 27: [ RUN ] SimdMathTest.exp2Unsafe 27: [ OK ] SimdMathTest.exp2Unsafe (0 ms) 27: [ RUN ] SimdMathTest.exp 27: [ OK ] SimdMathTest.exp (2 ms) 27: [ RUN ] SimdMathTest.expUnsafe 27: [ OK ] SimdMathTest.expUnsafe (1 ms) 27: [ RUN ] SimdMathTest.pow 27: [ OK ] SimdMathTest.pow (0 ms) 27: [ RUN ] SimdMathTest.powUnsafe 27: [ OK ] SimdMathTest.powUnsafe (0 ms) 27: [ RUN ] SimdMathTest.erf 27: [ OK ] SimdMathTest.erf (1 ms) 27: [ RUN ] SimdMathTest.erfc 27: [ OK ] SimdMathTest.erfc (1 ms) 27: [ RUN ] SimdMathTest.sin 27: [ OK ] SimdMathTest.sin (2 ms) 27: [ RUN ] SimdMathTest.cos 27: [ OK ] SimdMathTest.cos (2 ms) 27: [ RUN ] SimdMathTest.tan 27: [ OK ] SimdMathTest.tan (2 ms) 27: [ RUN ] SimdMathTest.asin 27: [ OK ] SimdMathTest.asin (1 ms) 27: [ RUN ] SimdMathTest.acos 27: [ OK ] SimdMathTest.acos (0 ms) 27: [ RUN ] SimdMathTest.atan 27: [ OK ] SimdMathTest.atan (1 ms) 27: [ RUN ] SimdMathTest.atan2 27: [ OK ] SimdMathTest.atan2 (0 ms) 27: [ RUN ] SimdMathTest.pmeForceCorrection 27: [ OK ] SimdMathTest.pmeForceCorrection (1 ms) 27: [ RUN ] SimdMathTest.pmePotentialCorrection 27: [ OK ] SimdMathTest.pmePotentialCorrection (1 ms) 27: [ RUN ] SimdMathTest.invsqrtSingleAccuracy 27: [ OK ] SimdMathTest.invsqrtSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.invsqrtPairSingleAccuracy 27: [ OK ] SimdMathTest.invsqrtPairSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.sqrtSingleAccuracy 27: [ OK ] SimdMathTest.sqrtSingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.sqrtSingleAccuracyUnsafe 27: [ OK ] SimdMathTest.sqrtSingleAccuracyUnsafe (1 ms) 27: [ RUN ] SimdMathTest.invSingleAccuracy 27: [ OK ] SimdMathTest.invSingleAccuracy (3 ms) 27: [ RUN ] SimdMathTest.cbrtSingleAccuracy 27: [ OK ] SimdMathTest.cbrtSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.invcbrtSingleAccuracy 27: [ OK ] SimdMathTest.invcbrtSingleAccuracy (3 ms) 27: [ RUN ] SimdMathTest.log2SingleAccuracy 27: [ OK ] SimdMathTest.log2SingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.logSingleAccuracy 27: [ OK ] SimdMathTest.logSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.exp2SingleAccuracy 27: [ OK ] SimdMathTest.exp2SingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.exp2SingleAccuracyUnsafe 27: [ OK ] SimdMathTest.exp2SingleAccuracyUnsafe (1 ms) 27: [ RUN ] SimdMathTest.expSingleAccuracy 27: [ OK ] SimdMathTest.expSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.expSingleAccuracyUnsafe 27: [ OK ] SimdMathTest.expSingleAccuracyUnsafe (0 ms) 27: [ RUN ] SimdMathTest.powSingleAccuracy 27: [ OK ] SimdMathTest.powSingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.powSingleAccuracyUnsafe 27: [ OK ] SimdMathTest.powSingleAccuracyUnsafe (0 ms) 27: [ RUN ] SimdMathTest.erfSingleAccuracy 27: [ OK ] SimdMathTest.erfSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.erfcSingleAccuracy 27: [ OK ] SimdMathTest.erfcSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.sinSingleAccuracy 27: [ OK ] SimdMathTest.sinSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.cosSingleAccuracy 27: [ OK ] SimdMathTest.cosSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.tanSingleAccuracy 27: [ OK ] SimdMathTest.tanSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.asinSingleAccuracy 27: [ OK ] SimdMathTest.asinSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.acosSingleAccuracy 27: [ OK ] SimdMathTest.acosSingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.atanSingleAccuracy 27: [ OK ] SimdMathTest.atanSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.atan2SingleAccuracy 27: [ OK ] SimdMathTest.atan2SingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.pmeForceCorrectionSingleAccuracy 27: [ OK ] SimdMathTest.pmeForceCorrectionSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.pmePotentialCorrectionSingleAccuracy 27: [ OK ] SimdMathTest.pmePotentialCorrectionSingleAccuracy (1 ms) 27: [----------] 56 tests from SimdMathTest (275 ms total) 27: 27: [----------] 1 test from EmptyArrayRefTest 27: [ RUN ] EmptyArrayRefTest.IsEmpty 27: [ OK ] EmptyArrayRefTest.IsEmpty (0 ms) 27: [----------] 1 test from EmptyArrayRefTest (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/0, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/0.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/0.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/0.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/0.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/0.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/0.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/0 (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/1, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/1.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/1.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/1.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/1.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/1.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/1.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/1 (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/2, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/2.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/2.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/2.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/2.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/2.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/2.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/2 (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/3, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/3.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/3.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/3.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/3.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/3.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/3.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/3 (0 ms total) 27: 27: [----------] 1 test from ArrayRefReadWriteTest/0, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefReadWriteTest/0.Assignment 27: [ OK ] ArrayRefReadWriteTest/0.Assignment (0 ms) 27: [----------] 1 test from ArrayRefReadWriteTest/0 (0 ms total) 27: 27: [----------] 1 test from ArrayRefReadWriteTest/1, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefReadWriteTest/1.Assignment 27: [ OK ] ArrayRefReadWriteTest/1.Assignment (0 ms) 27: [----------] 1 test from ArrayRefReadWriteTest/1 (0 ms total) 27: 27: [----------] 1 test from ArrayRefArithmeticTest/0, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefArithmeticTest/0.Basic 27: [ OK ] ArrayRefArithmeticTest/0.Basic (0 ms) 27: [----------] 1 test from ArrayRefArithmeticTest/0 (0 ms total) 27: 27: [----------] 1 test from ArrayRefArithmeticTest/1, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefArithmeticTest/1.Basic 27: [ OK ] ArrayRefArithmeticTest/1.Basic (0 ms) 27: [----------] 1 test from ArrayRefArithmeticTest/1 (0 ms total) 27: 27: [----------] 23 tests from SimdIntegerTest 27: [ RUN ] SimdIntegerTest.setZero 27: [ OK ] SimdIntegerTest.setZero (0 ms) 27: [ RUN ] SimdIntegerTest.set 27: [ OK ] SimdIntegerTest.set (0 ms) 27: [ RUN ] SimdIntegerTest.add 27: [ OK ] SimdIntegerTest.add (0 ms) 27: [ RUN ] SimdIntegerTest.sub 27: [ OK ] SimdIntegerTest.sub (0 ms) 27: [ RUN ] SimdIntegerTest.mul 27: [ OK ] SimdIntegerTest.mul (0 ms) 27: [ RUN ] SimdIntegerTest.and 27: [ OK ] SimdIntegerTest.and (0 ms) 27: [ RUN ] SimdIntegerTest.andNot 27: [ OK ] SimdIntegerTest.andNot (0 ms) 27: [ RUN ] SimdIntegerTest.or 27: [ OK ] SimdIntegerTest.or (0 ms) 27: [ RUN ] SimdIntegerTest.xor 27: [ OK ] SimdIntegerTest.xor (0 ms) 27: [ RUN ] SimdIntegerTest.extract 27: [ OK ] SimdIntegerTest.extract (0 ms) 27: [ RUN ] SimdIntegerTest.cvtR2I 27: [ OK ] SimdIntegerTest.cvtR2I (0 ms) 27: [ RUN ] SimdIntegerTest.cvttR2I 27: [ OK ] SimdIntegerTest.cvttR2I (0 ms) 27: [ RUN ] SimdIntegerTest.cvtI2R 27: [ OK ] SimdIntegerTest.cvtI2R (0 ms) 27: [ RUN ] SimdIntegerTest.cmpEqAndSelectMask 27: [ OK ] SimdIntegerTest.cmpEqAndSelectMask (0 ms) 27: [ RUN ] SimdIntegerTest.cmpEqAndSelectNotMask 27: [ OK ] SimdIntegerTest.cmpEqAndSelectNotMask (0 ms) 27: [ RUN ] SimdIntegerTest.cmpLt 27: [ OK ] SimdIntegerTest.cmpLt (0 ms) 27: [ RUN ] SimdIntegerTest.testBits 27: [ OK ] SimdIntegerTest.testBits (0 ms) 27: [ RUN ] SimdIntegerTest.andB 27: [ OK ] SimdIntegerTest.andB (0 ms) 27: [ RUN ] SimdIntegerTest.orB 27: [ OK ] SimdIntegerTest.orB (0 ms) 27: [ RUN ] SimdIntegerTest.anyTrue 27: [ OK ] SimdIntegerTest.anyTrue (0 ms) 27: [ RUN ] SimdIntegerTest.blend 27: [ OK ] SimdIntegerTest.blend (0 ms) 27: [ RUN ] SimdIntegerTest.cvtB2IB 27: [ OK ] SimdIntegerTest.cvtB2IB (0 ms) 27: [ RUN ] SimdIntegerTest.cvtIB2B 27: [ OK ] SimdIntegerTest.cvtIB2B (0 ms) 27: [----------] 23 tests from SimdIntegerTest (1 ms total) 27: 27: [----------] 32 tests from Simd4FloatingpointTest 27: [ RUN ] Simd4FloatingpointTest.setZero 27: [ OK ] Simd4FloatingpointTest.setZero (0 ms) 27: [ RUN ] Simd4FloatingpointTest.set 27: [ OK ] Simd4FloatingpointTest.set (0 ms) 27: [ RUN ] Simd4FloatingpointTest.add 27: [ OK ] Simd4FloatingpointTest.add (0 ms) 27: [ RUN ] Simd4FloatingpointTest.sub 27: [ OK ] Simd4FloatingpointTest.sub (0 ms) 27: [ RUN ] Simd4FloatingpointTest.mul 27: [ OK ] Simd4FloatingpointTest.mul (0 ms) 27: [ RUN ] Simd4FloatingpointTest.fma 27: [ OK ] Simd4FloatingpointTest.fma (0 ms) 27: [ RUN ] Simd4FloatingpointTest.fms 27: [ OK ] Simd4FloatingpointTest.fms (0 ms) 27: [ RUN ] Simd4FloatingpointTest.fnma 27: [ OK ] Simd4FloatingpointTest.fnma (0 ms) 27: [ RUN ] Simd4FloatingpointTest.fnms 27: [ OK ] Simd4FloatingpointTest.fnms (0 ms) 27: [ RUN ] Simd4FloatingpointTest.abs 27: [ OK ] Simd4FloatingpointTest.abs (0 ms) 27: [ RUN ] Simd4FloatingpointTest.neg 27: [ OK ] Simd4FloatingpointTest.neg (0 ms) 27: [ RUN ] Simd4FloatingpointTest.and 27: [ OK ] Simd4FloatingpointTest.and (0 ms) 27: [ RUN ] Simd4FloatingpointTest.or 27: [ OK ] Simd4FloatingpointTest.or (0 ms) 27: [ RUN ] Simd4FloatingpointTest.xor 27: [ OK ] Simd4FloatingpointTest.xor (0 ms) 27: [ RUN ] Simd4FloatingpointTest.andNot 27: [ OK ] Simd4FloatingpointTest.andNot (0 ms) 27: [ RUN ] Simd4FloatingpointTest.max 27: [ OK ] Simd4FloatingpointTest.max (0 ms) 27: [ RUN ] Simd4FloatingpointTest.min 27: [ OK ] Simd4FloatingpointTest.min (0 ms) 27: [ RUN ] Simd4FloatingpointTest.round 27: [ OK ] Simd4FloatingpointTest.round (0 ms) 27: [ RUN ] Simd4FloatingpointTest.trunc 27: [ OK ] Simd4FloatingpointTest.trunc (0 ms) 27: [ RUN ] Simd4FloatingpointTest.gmxSimd4RsqrtR 27: [ OK ] Simd4FloatingpointTest.gmxSimd4RsqrtR (0 ms) 27: [ RUN ] Simd4FloatingpointTest.cmpEqAndSelectByMask 27: [ OK ] Simd4FloatingpointTest.cmpEqAndSelectByMask (0 ms) 27: [ RUN ] Simd4FloatingpointTest.selectByNotMask 27: [ OK ] Simd4FloatingpointTest.selectByNotMask (0 ms) 27: [ RUN ] Simd4FloatingpointTest.cmpNe 27: [ OK ] Simd4FloatingpointTest.cmpNe (0 ms) 27: [ RUN ] Simd4FloatingpointTest.cmpLe 27: [ OK ] Simd4FloatingpointTest.cmpLe (0 ms) 27: [ RUN ] Simd4FloatingpointTest.cmpLt 27: [ OK ] Simd4FloatingpointTest.cmpLt (0 ms) 27: [ RUN ] Simd4FloatingpointTest.andB 27: [ OK ] Simd4FloatingpointTest.andB (0 ms) 27: [ RUN ] Simd4FloatingpointTest.orB 27: [ OK ] Simd4FloatingpointTest.orB (0 ms) 27: [ RUN ] Simd4FloatingpointTest.anyTrue 27: [ OK ] Simd4FloatingpointTest.anyTrue (0 ms) 27: [ RUN ] Simd4FloatingpointTest.blend 27: [ OK ] Simd4FloatingpointTest.blend (0 ms) 27: [ RUN ] Simd4FloatingpointTest.reduce 27: [ OK ] Simd4FloatingpointTest.reduce (0 ms) 27: [ RUN ] Simd4FloatingpointTest.dotProduct 27: [ OK ] Simd4FloatingpointTest.dotProduct (0 ms) 27: [ RUN ] Simd4FloatingpointTest.transpose 27: [ OK ] Simd4FloatingpointTest.transpose (0 ms) 27: [----------] 32 tests from Simd4FloatingpointTest (0 ms total) 27: 27: [----------] 1 test from Simd4VectorOperationsTest 27: [ RUN ] Simd4VectorOperationsTest.norm2 27: [ OK ] Simd4VectorOperationsTest.norm2 (0 ms) 27: [----------] 1 test from Simd4VectorOperationsTest (0 ms total) 27: 27: [----------] 2 tests from Simd4MathTest 27: [ RUN ] Simd4MathTest.invsqrt 27: [ OK ] Simd4MathTest.invsqrt (0 ms) 27: [ RUN ] Simd4MathTest.invsqrtSingleAccuracy 27: [ OK ] Simd4MathTest.invsqrtSingleAccuracy (0 ms) 27: [----------] 2 tests from Simd4MathTest (0 ms total) 27: 27: [----------] 41 tests from SimdScalarTest 27: [ RUN ] SimdScalarTest.load 27: [ OK ] SimdScalarTest.load (0 ms) 27: [ RUN ] SimdScalarTest.loadU 27: [ OK ] SimdScalarTest.loadU (0 ms) 27: [ RUN ] SimdScalarTest.store 27: [ OK ] SimdScalarTest.store (0 ms) 27: [ RUN ] SimdScalarTest.storeU 27: [ OK ] SimdScalarTest.storeU (0 ms) 27: [ RUN ] SimdScalarTest.setZero 27: [ OK ] SimdScalarTest.setZero (0 ms) 27: [ RUN ] SimdScalarTest.andNot 27: [ OK ] SimdScalarTest.andNot (0 ms) 27: [ RUN ] SimdScalarTest.fma 27: [ OK ] SimdScalarTest.fma (0 ms) 27: [ RUN ] SimdScalarTest.fms 27: [ OK ] SimdScalarTest.fms (0 ms) 27: [ RUN ] SimdScalarTest.fnma 27: [ OK ] SimdScalarTest.fnma (0 ms) 27: [ RUN ] SimdScalarTest.fnms 27: [ OK ] SimdScalarTest.fnms (0 ms) 27: [ RUN ] SimdScalarTest.maskAdd 27: [ OK ] SimdScalarTest.maskAdd (0 ms) 27: [ RUN ] SimdScalarTest.maskzMul 27: [ OK ] SimdScalarTest.maskzMul (0 ms) 27: [ RUN ] SimdScalarTest.maskzFma 27: [ OK ] SimdScalarTest.maskzFma (0 ms) 27: [ RUN ] SimdScalarTest.abs 27: [ OK ] SimdScalarTest.abs (0 ms) 27: [ RUN ] SimdScalarTest.max 27: [ OK ] SimdScalarTest.max (0 ms) 27: [ RUN ] SimdScalarTest.min 27: [ OK ] SimdScalarTest.min (0 ms) 27: [ RUN ] SimdScalarTest.round 27: [ OK ] SimdScalarTest.round (0 ms) 27: [ RUN ] SimdScalarTest.trunc 27: [ OK ] SimdScalarTest.trunc (0 ms) 27: [ RUN ] SimdScalarTest.reduce 27: [ OK ] SimdScalarTest.reduce (0 ms) 27: [ RUN ] SimdScalarTest.testBits 27: [ OK ] SimdScalarTest.testBits (0 ms) 27: [ RUN ] SimdScalarTest.anyTrue 27: [ OK ] SimdScalarTest.anyTrue (0 ms) 27: [ RUN ] SimdScalarTest.selectByMask 27: [ OK ] SimdScalarTest.selectByMask (0 ms) 27: [ RUN ] SimdScalarTest.selectByNotMask 27: [ OK ] SimdScalarTest.selectByNotMask (0 ms) 27: [ RUN ] SimdScalarTest.blend 27: [ OK ] SimdScalarTest.blend (0 ms) 27: [ RUN ] SimdScalarTest.cvtR2I 27: [ OK ] SimdScalarTest.cvtR2I (0 ms) 27: [ RUN ] SimdScalarTest.cvttR2I 27: [ OK ] SimdScalarTest.cvttR2I (0 ms) 27: [ RUN ] SimdScalarTest.cvtI2R 27: [ OK ] SimdScalarTest.cvtI2R (0 ms) 27: [ RUN ] SimdScalarTest.cvtF2D 27: [ OK ] SimdScalarTest.cvtF2D (0 ms) 27: [ RUN ] SimdScalarTest.cvtD2D 27: [ OK ] SimdScalarTest.cvtD2D (0 ms) 27: [ RUN ] SimdScalarTest.loadI 27: [ OK ] SimdScalarTest.loadI (0 ms) 27: [ RUN ] SimdScalarTest.loadUI 27: [ OK ] SimdScalarTest.loadUI (0 ms) 27: [ RUN ] SimdScalarTest.storeI 27: [ OK ] SimdScalarTest.storeI (0 ms) 27: [ RUN ] SimdScalarTest.storeUI 27: [ OK ] SimdScalarTest.storeUI (0 ms) 27: [ RUN ] SimdScalarTest.andNotI 27: [ OK ] SimdScalarTest.andNotI (0 ms) 27: [ RUN ] SimdScalarTest.testBitsI 27: [ OK ] SimdScalarTest.testBitsI (0 ms) 27: [ RUN ] SimdScalarTest.selectByMaskI 27: [ OK ] SimdScalarTest.selectByMaskI (0 ms) 27: [ RUN ] SimdScalarTest.selectByNotMaskI 27: [ OK ] SimdScalarTest.selectByNotMaskI (0 ms) 27: [ RUN ] SimdScalarTest.blendI 27: [ OK ] SimdScalarTest.blendI (0 ms) 27: [ RUN ] SimdScalarTest.cvtB2IB 27: [ OK ] SimdScalarTest.cvtB2IB (0 ms) 27: [ RUN ] SimdScalarTest.cvtIB2B 27: [ OK ] SimdScalarTest.cvtIB2B (0 ms) 27: [ RUN ] SimdScalarTest.expandScalarsToTriplets 27: [ OK ] SimdScalarTest.expandScalarsToTriplets (0 ms) 27: [----------] 41 tests from SimdScalarTest (0 ms total) 27: 27: [----------] 8 tests from SimdScalarUtilTest 27: [ RUN ] SimdScalarUtilTest.gatherLoadTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.gatherLoadUTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadUTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.transposeScatterStoreU 27: [ OK ] SimdScalarUtilTest.transposeScatterStoreU (0 ms) 27: [ RUN ] SimdScalarUtilTest.transposeScatterIncrU 27: [ OK ] SimdScalarUtilTest.transposeScatterIncrU (0 ms) 27: [ RUN ] SimdScalarUtilTest.transposeScatterDecrU 27: [ OK ] SimdScalarUtilTest.transposeScatterDecrU (0 ms) 27: [ RUN ] SimdScalarUtilTest.gatherLoadBySimdIntTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadBySimdIntTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.gatherLoadUBySimdIntTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadUBySimdIntTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.reduceIncr4ReturnSum 27: [ OK ] SimdScalarUtilTest.reduceIncr4ReturnSum (0 ms) 27: [----------] 8 tests from SimdScalarUtilTest (0 ms total) 27: 27: [----------] 37 tests from SimdScalarMathTest 27: [ RUN ] SimdScalarMathTest.copysign 27: [ OK ] SimdScalarMathTest.copysign (0 ms) 27: [ RUN ] SimdScalarMathTest.invsqrtPair 27: [ OK ] SimdScalarMathTest.invsqrtPair (0 ms) 27: [ RUN ] SimdScalarMathTest.inv 27: [ OK ] SimdScalarMathTest.inv (0 ms) 27: [ RUN ] SimdScalarMathTest.maskzInvsqrt 27: [ OK ] SimdScalarMathTest.maskzInvsqrt (0 ms) 27: [ RUN ] SimdScalarMathTest.log 27: [ OK ] SimdScalarMathTest.log (0 ms) 27: [ RUN ] SimdScalarMathTest.exp2 27: [ OK ] SimdScalarMathTest.exp2 (0 ms) 27: [ RUN ] SimdScalarMathTest.exp 27: [ OK ] SimdScalarMathTest.exp (0 ms) 27: [ RUN ] SimdScalarMathTest.erf 27: [ OK ] SimdScalarMathTest.erf (0 ms) 27: [ RUN ] SimdScalarMathTest.erfc 27: [ OK ] SimdScalarMathTest.erfc (0 ms) 27: [ RUN ] SimdScalarMathTest.sincos 27: [ OK ] SimdScalarMathTest.sincos (0 ms) 27: [ RUN ] SimdScalarMathTest.sin 27: [ OK ] SimdScalarMathTest.sin (0 ms) 27: [ RUN ] SimdScalarMathTest.cos 27: [ OK ] SimdScalarMathTest.cos (0 ms) 27: [ RUN ] SimdScalarMathTest.tan 27: [ OK ] SimdScalarMathTest.tan (0 ms) 27: [ RUN ] SimdScalarMathTest.asin 27: [ OK ] SimdScalarMathTest.asin (0 ms) 27: [ RUN ] SimdScalarMathTest.acos 27: [ OK ] SimdScalarMathTest.acos (0 ms) 27: [ RUN ] SimdScalarMathTest.atan 27: [ OK ] SimdScalarMathTest.atan (0 ms) 27: [ RUN ] SimdScalarMathTest.atan2 27: [ OK ] SimdScalarMathTest.atan2 (0 ms) 27: [ RUN ] SimdScalarMathTest.pmeForceCorrection 27: [ OK ] SimdScalarMathTest.pmeForceCorrection (0 ms) 27: [ RUN ] SimdScalarMathTest.pmePotentialCorrection 27: [ OK ] SimdScalarMathTest.pmePotentialCorrection (0 ms) 27: [ RUN ] SimdScalarMathTest.invsqrtPairSingleAccuracy 27: [ OK ] SimdScalarMathTest.invsqrtPairSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.invSingleAccuracy 27: [ OK ] SimdScalarMathTest.invSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.maskzInvsqrtSingleAccuracy 27: [ OK ] SimdScalarMathTest.maskzInvsqrtSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.logSingleAccuracy 27: [ OK ] SimdScalarMathTest.logSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.exp2SingleAccuracy 27: [ OK ] SimdScalarMathTest.exp2SingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.expSingleAccuracy 27: [ OK ] SimdScalarMathTest.expSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.erfSingleAccuracy 27: [ OK ] SimdScalarMathTest.erfSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.erfcSingleAccuracy 27: [ OK ] SimdScalarMathTest.erfcSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.sincosSingleAccuracy 27: [ OK ] SimdScalarMathTest.sincosSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.sinSingleAccuracy 27: [ OK ] SimdScalarMathTest.sinSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.cosSingleAccuracy 27: [ OK ] SimdScalarMathTest.cosSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.tanSingleAccuracy 27: [ OK ] SimdScalarMathTest.tanSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.asinSingleAccuracy 27: [ OK ] SimdScalarMathTest.asinSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.acosSingleAccuracy 27: [ OK ] SimdScalarMathTest.acosSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.atanSingleAccuracy 27: [ OK ] SimdScalarMathTest.atanSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.atan2SingleAccuracy 27: [ OK ] SimdScalarMathTest.atan2SingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.pmeForceCorrectionSingleAccuracy 27: [ OK ] SimdScalarMathTest.pmeForceCorrectionSingleAccuracy (1 ms) 27: [ RUN ] SimdScalarMathTest.pmePotentialCorrectionSingleAccuracy 27: [ OK ] SimdScalarMathTest.pmePotentialCorrectionSingleAccuracy (0 ms) 27: [----------] 37 tests from SimdScalarMathTest (1 ms total) 27: 27: [----------] Global test environment tear-down 27: [==========] 288 tests from 22 test cases ran. (278 ms total) 27: [ PASSED ] 288 tests. 27/54 Test #27: SimdUnitTests ....................... Passed 0.38 sec test 28 Start 28: CompatibilityHelpersTests 28: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/compat-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/CompatibilityHelpersTests.xml" 28: Test timeout computed to be: 30 28: [==========] Running 170 tests from 12 test cases. 28: [----------] Global test environment set-up. 28: [----------] 45 tests from OptionalTest 28: [ RUN ] OptionalTest.UnionCanContainNonPodTypes 28: [ OK ] OptionalTest.UnionCanContainNonPodTypes (0 ms) 28: [ RUN ] OptionalTest.CanDefaultConstructEmpty 28: [ OK ] OptionalTest.CanDefaultConstructEmpty (0 ms) 28: [ RUN ] OptionalTest.CanConstructFromNullopt 28: [ OK ] OptionalTest.CanConstructFromNullopt (0 ms) 28: [ RUN ] OptionalTest.CanDefaultConstructUsingNonDefaultConstructibleType 28: [ OK ] OptionalTest.CanDefaultConstructUsingNonDefaultConstructibleType (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromEmptyOptional 28: [ OK ] OptionalTest.CanCopyConstructFromEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromEmptyOptional 28: [ OK ] OptionalTest.CanMoveConstructFromEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromEmptyOptionalWithExplicitConversion 28: [ OK ] OptionalTest.CanCopyConstructFromEmptyOptionalWithExplicitConversion (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanCopyConstructFromEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromEmptyOptionalExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromEmptyOptionalExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromNonEmptyOptional 28: [ OK ] OptionalTest.CanCopyConstructFromNonEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromNonEmptyOptionalExplicitConverting 28: [ OK ] OptionalTest.CanCopyConstructFromNonEmptyOptionalExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromNonEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanCopyConstructFromNonEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromNonEmptyOptional 28: [ OK ] OptionalTest.CanMoveConstructFromNonEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromNonEmptyOptionalExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromNonEmptyOptionalExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromNonEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromNonEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromLiteral 28: [ OK ] OptionalTest.CanCopyConstructFromLiteral (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromLiteralConverting 28: [ OK ] OptionalTest.CanCopyConstructFromLiteralConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromValue 28: [ OK ] OptionalTest.CanCopyConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromValueConverting 28: [ OK ] OptionalTest.CanCopyConstructFromValueConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromValue 28: [ OK ] OptionalTest.CanMoveConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromValueExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromValueExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromValueNonExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromValueNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceConstructFromLiteral 28: [ OK ] OptionalTest.CanInPlaceConstructFromLiteral (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceCopyConstructFromValue 28: [ OK ] OptionalTest.CanInPlaceCopyConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceMoveConstructFromValue 28: [ OK ] OptionalTest.CanInPlaceMoveConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceCopyConstructFromInitializerList 28: [ OK ] OptionalTest.CanInPlaceCopyConstructFromInitializerList (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceMoveConstructFromInitializerList 28: [ OK ] OptionalTest.CanInPlaceMoveConstructFromInitializerList (0 ms) 28: [ RUN ] OptionalTest.CanAssignNulloptToDisengage 28: [ OK ] OptionalTest.CanAssignNulloptToDisengage (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionals 28: [ OK ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionals (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionalsConverting 28: [ OK ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionalsConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionalsConverting 28: [ OK ] OptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionalsConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignFromLiteral 28: [ OK ] OptionalTest.CanCopyAssignFromLiteral (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignFromValue 28: [ OK ] OptionalTest.CanCopyAssignFromValue (0 ms) 28: [ RUN ] OptionalTest.CanMoveAssignFromValue 28: [ OK ] OptionalTest.CanMoveAssignFromValue (0 ms) 28: [ RUN ] OptionalTest.CanCopyEmplaceFromArguments 28: [ OK ] OptionalTest.CanCopyEmplaceFromArguments (0 ms) 28: [ RUN ] OptionalTest.CanMoveEmplaceFromArguments 28: [ OK ] OptionalTest.CanMoveEmplaceFromArguments (0 ms) 28: [ RUN ] OptionalTest.CanCopyEmplaceFromInitializerListAndArguments 28: [ OK ] OptionalTest.CanCopyEmplaceFromInitializerListAndArguments (0 ms) 28: [ RUN ] OptionalTest.CanMoveEmplaceFromInitializerListAndArguments 28: [ OK ] OptionalTest.CanMoveEmplaceFromInitializerListAndArguments (0 ms) 28: [ RUN ] OptionalTest.CanResetContent 28: [ OK ] OptionalTest.CanResetContent (0 ms) 28: [ RUN ] OptionalTest.ProvidesRelationalOperators 28: [ OK ] OptionalTest.ProvidesRelationalOperators (1 ms) 28: [ RUN ] OptionalTest.ProvidesMixedTypeRelationalOperators 28: [ OK ] OptionalTest.ProvidesMixedTypeRelationalOperators (0 ms) 28: [ RUN ] OptionalTest.CanProduceHash 28: [ OK ] OptionalTest.CanProduceHash (0 ms) 28: [ RUN ] OptionalTest.ShowAlignmentDependingOnBaseType 28: alignment_of: 1 28: alignment_of: 2 28: alignment_of: 4 28: alignment_of: 8 28: alignment_of: 4 28: alignment_of: 8 28: alignment_of: 16 28: alignment_of: 1 28: [ OK ] OptionalTest.ShowAlignmentDependingOnBaseType (0 ms) 28: [ RUN ] OptionalTest.ShowSizeDependingOnBaseType 28: sizeof( nonstd::optional_lite::detail::storage_t ): 1 28: sizeof( optional ): 2 (1) 28: sizeof( optional ): 4 (2) 28: sizeof( optional ): 8 (4) 28: sizeof( optional ): 16 (8) 28: sizeof( optional ): 8 (4) 28: sizeof( optional ): 16 (8) 28: sizeof( optional ): 32 (16) 28: sizeof( optional ): 2 (1) 28: [ OK ] OptionalTest.ShowSizeDependingOnBaseType (0 ms) 28: [----------] 45 tests from OptionalTest (1 ms total) 28: 28: [----------] 7 tests from MakeOptionalTest 28: [ RUN ] MakeOptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionals 28: [ OK ] MakeOptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionals (0 ms) 28: [ RUN ] MakeOptionalTest.CanCopyConstruct 28: [ OK ] MakeOptionalTest.CanCopyConstruct (0 ms) 28: [ RUN ] MakeOptionalTest.CanMoveConstruct 28: [ OK ] MakeOptionalTest.CanMoveConstruct (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceCopyConstructFromArguments 28: [ OK ] MakeOptionalTest.CanInPlaceCopyConstructFromArguments (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceMoveConstructFromArguments 28: [ OK ] MakeOptionalTest.CanInPlaceMoveConstructFromArguments (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceCopyConstructFromInitializerListAndArguments 28: [ OK ] MakeOptionalTest.CanInPlaceCopyConstructFromInitializerListAndArguments (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceMoveConstructFromInitializerListAndArguments 28: [ OK ] MakeOptionalTest.CanInPlaceMoveConstructFromInitializerListAndArguments (0 ms) 28: [----------] 7 tests from MakeOptionalTest (0 ms total) 28: 28: [----------] 4 tests from OptionalMemberSwapTest 28: [ RUN ] OptionalMemberSwapTest.CanSwapDisengagedWithDisengaged 28: [ OK ] OptionalMemberSwapTest.CanSwapDisengagedWithDisengaged (0 ms) 28: [ RUN ] OptionalMemberSwapTest.CanSwapEngagedWithDisengaged 28: [ OK ] OptionalMemberSwapTest.CanSwapEngagedWithDisengaged (0 ms) 28: [ RUN ] OptionalMemberSwapTest.CanSwapDisengagedWithEngaged 28: [ OK ] OptionalMemberSwapTest.CanSwapDisengagedWithEngaged (0 ms) 28: [ RUN ] OptionalMemberSwapTest.CanSwapEngagedWithEngaged 28: [ OK ] OptionalMemberSwapTest.CanSwapEngagedWithEngaged (0 ms) 28: [----------] 4 tests from OptionalMemberSwapTest (0 ms total) 28: 28: [----------] 4 tests from OptionalImplicitValueTest 28: [ RUN ] OptionalImplicitValueTest.CanObtainValueConst 28: [ OK ] OptionalImplicitValueTest.CanObtainValueConst (0 ms) 28: [ RUN ] OptionalImplicitValueTest.CanObtainValueNonConst 28: [ OK ] OptionalImplicitValueTest.CanObtainValueNonConst (0 ms) 28: [ RUN ] OptionalImplicitValueTest.CanObtainMovedFromValueConst 28: [ OK ] OptionalImplicitValueTest.CanObtainMovedFromValueConst (0 ms) 28: [ RUN ] OptionalImplicitValueTest.CanObtainMovedFromValueNonConst 28: [ OK ] OptionalImplicitValueTest.CanObtainMovedFromValueNonConst (0 ms) 28: [----------] 4 tests from OptionalImplicitValueTest (0 ms total) 28: 28: [----------] 20 tests from OptionalIntValueTest 28: [ RUN ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorConst 28: [ OK ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorNonConst 28: [ OK ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorNonConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainHasValueViaOperatorBool 28: [ OK ] OptionalIntValueTest.CanObtainHasValueViaOperatorBool (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueViaValueMethodConst 28: [ OK ] OptionalIntValueTest.CanObtainValueViaValueMethodConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueViaValueMethodNonConst 28: [ OK ] OptionalIntValueTest.CanObtainValueViaValueMethodNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodNonConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueFromNonEmptyOptionalViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainValueFromNonEmptyOptionalViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainDefaultFromEmptyOptionalViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainDefaultFromEmptyOptionalViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedFromValueForLValuesViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainMovedFromValueForLValuesViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedFromValueForRValuesViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainMovedFromValueForRValuesViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForLValues 28: [ OK ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForLValues (0 ms) 28: [ RUN ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForRValues 28: [ OK ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForRValues (0 ms) 28: [ RUN ] OptionalIntValueTest.ThrowsBadOptionalAccessWithNonEmptyWhatMethod 28: [ OK ] OptionalIntValueTest.ThrowsBadOptionalAccessWithNonEmptyWhatMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithDisengaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithDisengaged (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithEngaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithEngaged (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithEngaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithEngaged (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithDisengaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithDisengaged (0 ms) 28: [----------] 20 tests from OptionalIntValueTest (0 ms total) 28: 28: [----------] 1 test from NotNullConstruction 28: [ RUN ] NotNullConstruction.Works 28: [ OK ] NotNullConstruction.Works (0 ms) 28: [----------] 1 test from NotNullConstruction (0 ms total) 28: 28: [----------] 1 test from NotNullCasting 28: [ RUN ] NotNullCasting.Works 28: [ OK ] NotNullCasting.Works (0 ms) 28: [----------] 1 test from NotNullCasting (0 ms total) 28: 28: [----------] 1 test from NotNullAssignment 28: [ RUN ] NotNullAssignment.Works 28: [ OK ] NotNullAssignment.Works (0 ms) 28: [----------] 1 test from NotNullAssignment (0 ms total) 28: 28: [----------] 1 test from MakeNotNull 28: [ RUN ] MakeNotNull.Works 28: [ OK ] MakeNotNull.Works (0 ms) 28: [----------] 1 test from MakeNotNull (0 ms total) 28: 28: [----------] 1 test from NotNull 28: [ RUN ] NotNull.WorksInContainers 28: [ OK ] NotNull.WorksInContainers (0 ms) 28: [----------] 1 test from NotNull (0 ms total) 28: 28: [----------] 80 tests from StringViewTest 28: [ RUN ] StringViewTest.CanDefaultConstructEmptyView 28: [ OK ] StringViewTest.CanDefaultConstructEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanConstructFromPointerAndSize 28: [ OK ] StringViewTest.CanConstructFromPointerAndSize (0 ms) 28: [ RUN ] StringViewTest.CanConstructFromCString 28: [ OK ] StringViewTest.CanConstructFromCString (0 ms) 28: [ RUN ] StringViewTest.CanCopyConstructFromEmptyView 28: [ OK ] StringViewTest.CanCopyConstructFromEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanCopyConstructFromNonEmptyView 28: [ OK ] StringViewTest.CanCopyConstructFromNonEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanCopyAssingFromEmptyView 28: [ OK ] StringViewTest.CanCopyAssingFromEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanCopyAssingFromNonEmptyView 28: [ OK ] StringViewTest.CanCopyAssingFromNonEmptyView (0 ms) 28: [ RUN ] StringViewTest.AllowForwardIteration 28: [ OK ] StringViewTest.AllowForwardIteration (0 ms) 28: [ RUN ] StringViewTest.AllowConstForwardIteration 28: [ OK ] StringViewTest.AllowConstForwardIteration (0 ms) 28: [ RUN ] StringViewTest.AllowReverseIteration 28: [ OK ] StringViewTest.AllowReverseIteration (0 ms) 28: [ RUN ] StringViewTest.AllowConstReverseIteration 28: [ OK ] StringViewTest.AllowConstReverseIteration (0 ms) 28: [ RUN ] StringViewTest.CanObtainSizeFromViewViaSize 28: [ OK ] StringViewTest.CanObtainSizeFromViewViaSize (0 ms) 28: [ RUN ] StringViewTest.CanObtainSizeFromViewViaLength 28: [ OK ] StringViewTest.CanObtainSizeFromViewViaLength (0 ms) 28: [ RUN ] StringViewTest.CanObtainMaxSizeViaMaxSize 28: [ OK ] StringViewTest.CanObtainMaxSizeViaMaxSize (0 ms) 28: [ RUN ] StringViewTest.CanCheckForEmptyStringWithEmpty 28: [ OK ] StringViewTest.CanCheckForEmptyStringWithEmpty (0 ms) 28: [ RUN ] StringViewTest.CanAccessElementViaArrayIndex 28: [ OK ] StringViewTest.CanAccessElementViaArrayIndex (0 ms) 28: [ RUN ] StringViewTest.CanAccessElementViaAt 28: [ OK ] StringViewTest.CanAccessElementViaAt (0 ms) 28: [ RUN ] StringViewTest.ThrowsOnOutOfBoundsAccess 28: [ OK ] StringViewTest.ThrowsOnOutOfBoundsAccess (0 ms) 28: [ RUN ] StringViewTest.CanAccessAllElementsViaData 28: [ OK ] StringViewTest.CanAccessAllElementsViaData (0 ms) 28: [ RUN ] StringViewTest.DataFromEmptyStringIsNullptr 28: [ OK ] StringViewTest.DataFromEmptyStringIsNullptr (0 ms) 28: [ RUN ] StringViewTest.CanRemovePrefix 28: [ OK ] StringViewTest.CanRemovePrefix (0 ms) 28: [ RUN ] StringViewTest.CanRemoveSuffix 28: [ OK ] StringViewTest.CanRemoveSuffix (0 ms) 28: [ RUN ] StringViewTest.CanSwapWithOtherView 28: [ OK ] StringViewTest.CanSwapWithOtherView (0 ms) 28: [ RUN ] StringViewTest.CanCopySubstringWithCopy 28: [ OK ] StringViewTest.CanCopySubstringWithCopy (0 ms) 28: [ RUN ] StringViewTest.ThrowsOnOutOfBoundsCopy 28: [ OK ] StringViewTest.ThrowsOnOutOfBoundsCopy (0 ms) 28: [ RUN ] StringViewTest.CanObtainSubstringWithSubstr 28: [ OK ] StringViewTest.CanObtainSubstringWithSubstr (0 ms) 28: [ RUN ] StringViewTest.ThrowsOnOutOfBoundsSubstr 28: [ OK ] StringViewTest.ThrowsOnOutOfBoundsSubstr (0 ms) 28: [ RUN ] StringViewTest.CanLexicallyCompareViewWithCompare 28: [ OK ] StringViewTest.CanLexicallyCompareViewWithCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareEmptyViewsWIthCompare 28: [ OK ] StringViewTest.CanCompareEmptyViewsWIthCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringWithViewViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringWithViewViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringWithSubStringViewViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringWithSubStringViewViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareToCStringViaCompare 28: [ OK ] StringViewTest.CanCompareToCStringViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringToCStringViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringToCStringViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringToCStringPrefixViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringToCStringPrefixViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCheckForPrefixViewViaStartsWith 28: [ OK ] StringViewTest.CanCheckForPrefixViewViaStartsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForPrefixCharacterViaStartsWith 28: [ OK ] StringViewTest.CanCheckForPrefixCharacterViaStartsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForPrefixCStringViaStartsWith 28: [ OK ] StringViewTest.CanCheckForPrefixCStringViaStartsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForSuffixViewViaEndsWith 28: [ OK ] StringViewTest.CanCheckForSuffixViewViaEndsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForSuffixCharacterViaEndsWith 28: [ OK ] StringViewTest.CanCheckForSuffixCharacterViaEndsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForSuffixCStringViaEndsWith 28: [ OK ] StringViewTest.CanCheckForSuffixCStringViaEndsWith (0 ms) 28: [ RUN ] StringViewTest.CanSearchForViewSubstrViaFind 28: [ OK ] StringViewTest.CanSearchForViewSubstrViaFind (0 ms) 28: [ RUN ] StringViewTest.CanSearchForCharacterViaFind 28: [ OK ] StringViewTest.CanSearchForCharacterViaFind (0 ms) 28: [ RUN ] StringViewTest.CanSearchForCStringSubstringViaFind 28: [ OK ] StringViewTest.CanSearchForCStringSubstringViaFind (0 ms) 28: [ RUN ] StringViewTest.CanSearchForCStringSubstringViaFindWithDefaultPos 28: [ OK ] StringViewTest.CanSearchForCStringSubstringViaFindWithDefaultPos (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForViewSubstrViaFind 28: [ OK ] StringViewTest.CanBackwardsSearchForViewSubstrViaFind (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForCharacterViaFind 28: [ OK ] StringViewTest.CanBackwardsSearchForCharacterViaFind (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFind 28: [ OK ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFind (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFindWithDefaultPos 28: [ OK ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFindWithDefaultPos (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfAnyCharacterInView 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfAnyCharacterInView (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfCharacter 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfCharacter (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCStringInLenght 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCStringInLenght (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCString 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCString (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfAnyCharacterInView 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfAnyCharacterInView (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharacter 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharacter (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCStringInLenght 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCStringInLenght (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCString 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCString (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNotFoundCharacter 28: [ OK ] StringViewTest.CanSearchForFirstNotFoundCharacter (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNonMatchingCharacter 28: [ OK ] StringViewTest.CanSearchForFirstNonMatchingCharacter (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCStringInLength 28: [ OK ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCStringInLength (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCString 28: [ OK ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCString (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForForstNonFoundCharacterInView 28: [ OK ] StringViewTest.CanBackwardsSearchForForstNonFoundCharacterInView (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForFirstNonMatchingCharacter 28: [ OK ] StringViewTest.CanBackwardsSearchForFirstNonMatchingCharacter (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCStringInLength 28: [ OK ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCStringInLength (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCString 28: [ OK ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCString (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSV 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSV (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSVInStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSVInStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SV 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SV (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SVInStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SVInStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCompareToViews 28: [ OK ] StringViewTest.CanCompareToViews (0 ms) 28: [ RUN ] StringViewTest.CanCompareViewToImplicitlyConvertedView 28: [ OK ] StringViewTest.CanCompareViewToImplicitlyConvertedView (0 ms) 28: [ RUN ] StringViewTest.EmptyViewsCompareAsEqual 28: [ OK ] StringViewTest.EmptyViewsCompareAsEqual (0 ms) 28: [ RUN ] StringViewTest.CanPrintViewToPutputStream 28: [ OK ] StringViewTest.CanPrintViewToPutputStream (0 ms) 28: [ RUN ] StringViewTest.HashOfViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfViewIsEqualToHashOfString (0 ms) 28: [ RUN ] StringViewTest.HashOfWStringViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfWStringViewIsEqualToHashOfString (0 ms) 28: [ RUN ] StringViewTest.HashOfU16StringViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfU16StringViewIsEqualToHashOfString (0 ms) 28: [ RUN ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString (0 ms) 28: [----------] 80 tests from StringViewTest (1 ms total) 28: 28: [----------] 5 tests from StringViewExtensionTest 28: [ RUN ] StringViewExtensionTest.CanConstructViewFromString 28: [ OK ] StringViewExtensionTest.CanConstructViewFromString (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViaExplicitOperator 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViaExplicitOperator (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViaToString 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViaToString (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViaToStringFreeFunction 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViaToStringFreeFunction (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViewViaToStringView 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViewViaToStringView (0 ms) 28: [----------] 5 tests from StringViewExtensionTest (0 ms total) 28: 28: [----------] Global test environment tear-down 28: [==========] 170 tests from 12 test cases ran. (2 ms total) 28: [ PASSED ] 170 tests. 28/54 Test #28: CompatibilityHelpersTests ........... Passed 0.05 sec test 29 Start 29: GmxAnaTest 29: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/gmxana-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/GmxAnaTest.xml" 29: Test timeout computed to be: 600 29: [==========] Running 27 tests from 5 test cases. 29: [----------] Global test environment set-up. 29: [----------] 5 tests from Entropy 29: [ RUN ] Entropy.Schlitter_300_NoLinear 29: [ OK ] Entropy.Schlitter_300_NoLinear (11 ms) 29: [ RUN ] Entropy.Schlitter_300_Linear 29: [ OK ] Entropy.Schlitter_300_Linear (0 ms) 29: [ RUN ] Entropy.QuasiHarmonic_300_NoLinear 29: [ OK ] Entropy.QuasiHarmonic_300_NoLinear (0 ms) 29: [ RUN ] Entropy.QuasiHarmonic_200_NoLinear 29: [ OK ] Entropy.QuasiHarmonic_200_NoLinear (12 ms) 29: [ RUN ] Entropy.QuasiHarmonic_200_Linear 29: [ OK ] Entropy.QuasiHarmonic_200_Linear (0 ms) 29: [----------] 5 tests from Entropy (23 ms total) 29: 29: [----------] 10 tests from MindistTest 29: [ RUN ] MindistTest.mindistWorksWithSingleAtoms 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 0: 'atom1' 29: Selected 1: 'atom2' 29: [ OK ] MindistTest.mindistWorksWithSingleAtoms (15 ms) 29: [ RUN ] MindistTest.mindistWorksWithMultipleAtoms 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 2: 'atom3' 29: Selected 3: 'atoms12' 29: [ OK ] MindistTest.mindistWorksWithMultipleAtoms (126 ms) 29: [ RUN ] MindistTest.mindistDoesNotPickUpContacts 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 0: 'atom1' 29: Selected 1: 'atom2' 29: [ OK ] MindistTest.mindistDoesNotPickUpContacts (12 ms) 29: [ RUN ] MindistTest.mindistPicksUpContacts 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 0: 'atom1' 29: Selected 1: 'atom2' 29: [ OK ] MindistTest.mindistPicksUpContacts (2 ms) 29: [ RUN ] MindistTest.ngWorks 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 0: 'atom1' 29: Selected 1: 'atom2' 29: Selected 2: 'atom3' 29: [ OK ] MindistTest.ngWorks (9 ms) 29: [ RUN ] MindistTest.groupWorks 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 3: 'atoms12' 29: Selected 2: 'atom3' 29: [ OK ] MindistTest.groupWorks (15 ms) 29: [ RUN ] MindistTest.maxDistWorks 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 2: 'atom3' 29: Selected 3: 'atoms12' 29: [ OK ] MindistTest.maxDistWorks (1 ms) 29: [ RUN ] MindistTest.noPbcWorks 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 0: 'atom1' 29: Selected 1: 'atom2' 29: [ OK ] MindistTest.noPbcWorks (2 ms) 29: [ RUN ] MindistTest.resPerTimeWorks 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 3: 'atoms12' 29: Selected 2: 'atom3' 29: [ OK ] MindistTest.resPerTimeWorks (11 ms) 29: [ RUN ] MindistTest.matrixWorks 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 5: 'atoms123' 29: Special case: making distance matrix between all atoms in group atoms123 29: [ OK ] MindistTest.matrixWorks (24 ms) 29: [----------] 10 tests from MindistTest (217 ms total) 29: 29: [----------] 3 tests from MsdTest 29: [ RUN ] MsdTest.threeDimensionalDiffusion 29: 29: Select a group to calculate mean squared displacement for: 29: Group 0 ( particles) has 3 elements 29: There is one group in the index 29: Reading frame 0 time 0.000 Reading frame 1 time 1.000 Reading frame 2 time 2.000 Reading frame 3 time 3.000 Reading frame 4 time 4.000 Reading frame 5 time 5.000 Reading frame 6 time 6.000 Reading frame 7 time 7.000 Reading frame 8 time 8.000 Reading frame 9 time 9.000 Last frame 9 time 9.000 29: 29: Used 1 restart points spaced 200 ps over 9 ps 29: 29: Fitting from 1 to 8 ps 29: 29: D[ particles] 4.0000 (+/- 0.0000) 1e-5 cm^2/s 29: [ OK ] MsdTest.threeDimensionalDiffusion (18 ms) 29: [ RUN ] MsdTest.twoDimensionalDiffusion 29: 29: Select a group to calculate mean squared displacement for: 29: Group 0 ( particles) has 3 elements 29: There is one group in the index 29: Reading frame 0 time 0.000 Reading frame 1 time 1.000 Reading frame 2 time 2.000 Reading frame 3 time 3.000 Reading frame 4 time 4.000 Reading frame 5 time 5.000 Reading frame 6 time 6.000 Reading frame 7 time 7.000 Reading frame 8 time 8.000 Reading frame 9 time 9.000 Last frame 9 time 9.000 29: 29: Used 1 restart points spaced 200 ps over 9 ps 29: 29: Fitting from 1 to 8 ps 29: 29: D[ particles] 6.0000 (+/- 0.0000) 1e-5 cm^2/s 29: [ OK ] MsdTest.twoDimensionalDiffusion (3 ms) 29: [ RUN ] MsdTest.oneDimensionalDiffusion 29: 29: Select a group to calculate mean squared displacement for: 29: Group 0 ( particles) has 3 elements 29: There is one group in the index 29: Reading frame 0 time 0.000 Reading frame 1 time 1.000 Reading frame 2 time 2.000 Reading frame 3 time 3.000 Reading frame 4 time 4.000 Reading frame 5 time 5.000 Reading frame 6 time 6.000 Reading frame 7 time 7.000 Reading frame 8 time 8.000 Reading frame 9 time 9.000 Last frame 9 time 9.000 29: 29: Used 1 restart points spaced 200 ps over 9 ps 29: 29: Fitting from 1 to 8 ps 29: 29: D[ particles] 8.0000 (+/- 0.0000) 1e-5 cm^2/s 29: [ OK ] MsdTest.oneDimensionalDiffusion (2 ms) 29: [----------] 3 tests from MsdTest (23 ms total) 29: 29: [----------] 3 tests from MsdMolTest 29: [ RUN ] MsdMolTest.diffMolMassWeighted 29: 29: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolMassWeighted.mdp]: 29: For a correct single-point energy evaluation with nsteps = 0, use 29: continuation = yes to avoid constraining the input coordinates. 29: 29: Setting the LD random seed to -1128300551 29: Generated 330891 of the 330891 non-bonded parameter combinations 29: Generating 1-4 interactions: fudge = 0.5 29: Generated 330891 of the 330891 1-4 parameter combinations 29: Excluding 2 bonded neighbours molecule type 'SOL' 29: Number of degrees of freedom in T-Coupling group rest is 27.00 29: 29: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolMassWeighted.mdp]: 29: NVE simulation with an initial temperature of zero: will use a Verlet 29: buffer of 10%. Check your energy drift! 29: 29: 29: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolMassWeighted.mdp]: 29: You are using a plain Coulomb cut-off, which might produce artifacts. 29: You might want to consider using PME electrostatics. 29: 29: 29: 29: There were 3 notes 29: Calculating diffusion coefficients for molecules. 29: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolMassWeighted.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 29: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolMassWeighted.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 29: 29: Select a group to calculate mean squared displacement for: 29: Group 0 ( water) has 15 elements 29: There is one group in the index 29: Split group of 15 atoms into 5 molecules 29: Reading frames from pdb file Reading frame 0 time 0.000 'water t= 0.00400 step= 20', 15 atoms 29: Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Reading frame 5 time 0.020 Reading frame 6 time 0.024 Reading frame 7 time 0.028 Reading frame 8 time 0.032 Reading frame 9 time 0.036 Reading frame 10 time 0.040 Reading frame 11 time 0.044 Reading frame 12 time 0.048 Reading frame 13 time 0.052 Reading frame 14 time 0.056 Reading frame 15 time 0.060 Reading frame 16 time 0.064 Reading frame 17 time 0.068 Reading frame 18 time 0.072 Reading frame 19 time 0.076 Reading frame 20 time 0.080 29: 29: Used 1 restart points spaced 200 ps over 0.1 ps 29: 29: This run will generate roughly 0 Mb of data 29: = 6.4731 Std. Dev. = 8.0969 Error = 3.6210 29: Fitting from 0.008 to 0.088 ps 29: 29: D[ water] 6.5741 (+/- 0.7753) 1e-5 cm^2/s 29: [ OK ] MsdMolTest.diffMolMassWeighted (1151 ms) 29: [ RUN ] MsdMolTest.diffMolNonMassWeighted 29: 29: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolNonMassWeighted.mdp]: 29: For a correct single-point energy evaluation with nsteps = 0, use 29: continuation = yes to avoid constraining the input coordinates. 29: 29: Setting the LD random seed to -68223105 29: Generated 330891 of the 330891 non-bonded parameter combinations 29: Generating 1-4 interactions: fudge = 0.5 29: Generated 330891 of the 330891 1-4 parameter combinations 29: Excluding 2 bonded neighbours molecule type 'SOL' 29: Number of degrees of freedom in T-Coupling group rest is 27.00 29: 29: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolNonMassWeighted.mdp]: 29: NVE simulation with an initial temperature of zero: will use a Verlet 29: buffer of 10%. Check your energy drift! 29: 29: 29: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolNonMassWeighted.mdp]: 29: You are using a plain Coulomb cut-off, which might produce artifacts. 29: You might want to consider using PME electrostatics. 29: 29: 29: 29: There were 3 notes 29: Calculating diffusion coefficients for molecules. 29: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolNonMassWeighted.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 29: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolNonMassWeighted.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 29: 29: Select a group to calculate mean squared displacement for: 29: Group 0 ( water) has 15 elements 29: There is one group in the index 29: Split group of 15 atoms into 5 molecules 29: Reading frames from pdb file Reading frame 0 time 0.000 'water t= 0.00400 step= 20', 15 atoms 29: Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Reading frame 5 time 0.020 Reading frame 6 time 0.024 Reading frame 7 time 0.028 Reading frame 8 time 0.032 Reading frame 9 time 0.036 Reading frame 10 time 0.040 Reading frame 11 time 0.044 Reading frame 12 time 0.048 Reading frame 13 time 0.052 Reading frame 14 time 0.056 Reading frame 15 time 0.060 Reading frame 16 time 0.064 Reading frame 17 time 0.068 Reading frame 18 time 0.072 Reading frame 19 time 0.076 Reading frame 20 time 0.080 29: 29: Used 1 restart points spaced 200 ps over 0.1 ps 29: 29: This run will generate roughly 0 Mb of data 29: = 6.4731 Std. Dev. = 8.0969 Error = 3.6210 29: Fitting from 0.008 to 0.088 ps 29: 29: D[ water] 6.5741 (+/- 0.7753) 1e-5 cm^2/s 29: [ OK ] MsdMolTest.diffMolNonMassWeighted (1521 ms) 29: [ RUN ] MsdMolTest.diffMolSelected 29: 29: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolSelected.mdp]: 29: For a correct single-point energy evaluation with nsteps = 0, use 29: continuation = yes to avoid constraining the input coordinates. 29: 29: Setting the LD random seed to -373308449 29: Generated 330891 of the 330891 non-bonded parameter combinations 29: Generating 1-4 interactions: fudge = 0.5 29: Generated 330891 of the 330891 1-4 parameter combinations 29: Excluding 2 bonded neighbours molecule type 'SOL' 29: Number of degrees of freedom in T-Coupling group rest is 27.00 29: 29: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolSelected.mdp]: 29: NVE simulation with an initial temperature of zero: will use a Verlet 29: buffer of 10%. Check your energy drift! 29: 29: 29: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolSelected.mdp]: 29: You are using a plain Coulomb cut-off, which might produce artifacts. 29: You might want to consider using PME electrostatics. 29: 29: 29: 29: There were 3 notes 29: Calculating diffusion coefficients for molecules. 29: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolSelected.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 29: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolSelected.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 29: 29: Select a group to calculate mean squared displacement for: 29: Group 0 ( mol) has 9 elements 29: There is one group in the index 29: Split group of 9 atoms into 3 molecules 29: Reading frames from pdb file Reading frame 0 time 0.000 'water t= 0.00400 step= 20', 15 atoms 29: Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Reading frame 5 time 0.020 Reading frame 6 time 0.024 Reading frame 7 time 0.028 Reading frame 8 time 0.032 Reading frame 9 time 0.036 Reading frame 10 time 0.040 Reading frame 11 time 0.044 Reading frame 12 time 0.048 Reading frame 13 time 0.052 Reading frame 14 time 0.056 Reading frame 15 time 0.060 Reading frame 16 time 0.064 Reading frame 17 time 0.068 Reading frame 18 time 0.072 Reading frame 19 time 0.076 Reading frame 20 time 0.080 29: 29: Used 1 restart points spaced 200 ps over 0.1 ps 29: 29: This run will generate roughly 0 Mb of data 29: = 7.3593 Std. Dev. = 9.7910 Error = 5.6529 29: Fitting from 0.008 to 0.088 ps 29: 29: D[ mol] 7.8614 (+/- 1.5618) 1e-5 cm^2/s 29: [ OK ] MsdMolTest.diffMolSelected (846 ms) 29: [----------] 3 tests from MsdMolTest (3518 ms total) 29: 29: [----------] 6 tests from NoFatalErrorWhenWritingFrom/GmxTraj 29: [ RUN ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0 29: Group 0 ( System) has 6 elements 29: Group 1 ( Water) has 6 elements 29: Group 2 ( SOL) has 6 elements 29: Select a group: trr version: GMX_trn_file (single precision) 29: Reading frame 0 time 0.000 Reading frame 1 time 0.000 Last frame 1 time 0.000 29: Selected 0: 'System' 29: [ OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0 (73 ms) 29: [ RUN ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/1 29: Group 0 ( System) has 6 elements 29: Group 1 ( Water) has 6 elements 29: Group 2 ( SOL) has 6 elements 29: Select a group: Reading frame 0 time 0.000 Reading frame 1 time 0.000 Last frame 1 time 0.000 29: Selected 0: 'System' 29: [ OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/1 (4 ms) 29: [ RUN ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/2 29: Group 0 ( System) has 6 elements 29: Group 1 ( Water) has 6 elements 29: Group 2 ( SOL) has 6 elements 29: Select a group: Reading frame 0 time 0.000 Reading frame 1 time 0.000 Last frame 1 time 0.000 29: Selected 0: 'System' 29: [ OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/2 (4 ms) 29: [ RUN ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/3 29: Group 0 ( System) has 6 elements 29: Group 1 ( Water) has 6 elements 29: Group 2 ( SOL) has 6 elements 29: Select a group: Reading frames from gro file '', 6 atoms. 29: Reading frame 0 time 0.000 Reading frame 1 time 0.000 Last frame 1 time 0.000 29: Selected 0: 'System' 29: [ OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/3 (270 ms) 29: [ RUN ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/4 29: Group 0 ( System) has 6 elements 29: Group 1 ( Water) has 6 elements 29: Group 2 ( SOL) has 6 elements 29: Select a group: Reading frames from pdb file Reading frame 0 time 0.000 't= 0.00000', 6 atoms 29: Reading frame 1 time 0.000 Last frame 1 time 0.000 29: Selected 0: 'System' 29: [ OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/4 (102 ms) 29: [ RUN ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/5 29: Group 0 ( System) has 6 elements 29: Group 1 ( Water) has 6 elements 29: Group 2 ( SOL) has 6 elements 29: Select a group: Reading frame 0 time 0.000 Reading frame 1 time 0.000 Last frame 1 time 0.000 29: Selected 0: 'System' 29: [ OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/5 (7 ms) 29: [----------] 6 tests from NoFatalErrorWhenWritingFrom/GmxTraj (460 ms total) 29: 29: [----------] Global test environment tear-down 29: [==========] 27 tests from 5 test cases ran. (4241 ms total) 29: [ PASSED ] 27 tests. 29/54 Test #29: GmxAnaTest .......................... Passed 4.27 sec test 30 Start 30: GmxPreprocessTests 30: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/gmxpreprocess-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/GmxPreprocessTests.xml" 30: Test timeout computed to be: 30 30: [==========] Running 69 tests from 10 test cases. 30: [----------] Global test environment set-up. 30: [----------] 4 tests from GenconfTest 30: [ RUN ] GenconfTest.nbox_Works 30: [ OK ] GenconfTest.nbox_Works (888 ms) 30: [ RUN ] GenconfTest.nbox_norenumber_Works 30: [ OK ] GenconfTest.nbox_norenumber_Works (32 ms) 30: [ RUN ] GenconfTest.nbox_dist_Works 30: [ OK ] GenconfTest.nbox_dist_Works (21 ms) 30: [ RUN ] GenconfTest.nbox_rot_Works 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: [ OK ] GenconfTest.nbox_rot_Works (15 ms) 30: [----------] 4 tests from GenconfTest (956 ms total) 30: 30: [----------] 2 tests from GenionTest 30: [ RUN ] GenionTest.HighConcentrationIonPlacement 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_HighConcentrationIonPlacement_input.mdp]: 30: rlist is equal to rvdw and/or rcoulomb: there is no explicit Verlet 30: buffer. The cluster pair list does have a buffering effect, but choosing 30: a larger rlist might be necessary for good energy conservation. 30: 30: 30: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_HighConcentrationIonPlacement_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: Setting the LD random seed to -679757861 30: Generated 331705 of the 331705 non-bonded parameter combinations 30: Generating 1-4 interactions: fudge = 0.5 30: Generated 331705 of the 331705 1-4 parameter combinations 30: Excluding 2 bonded neighbours molecule type 'SOL' 30: Excluding 3 bonded neighbours molecule type 'methane' 30: Number of degrees of freedom in T-Coupling group rest is 1308.00 30: 30: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_HighConcentrationIonPlacement_input.mdp]: 30: You are using a plain Coulomb cut-off, which might produce artifacts. 30: You might want to consider using PME electrostatics. 30: 30: 30: 30: There were 3 notes 30: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_HighConcentrationIonPlacement_spc216_with_methane.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 30: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_HighConcentrationIonPlacement_spc216_with_methane.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 30: Group 0 ( System) has 653 elements 30: Group 1 ( Water) has 648 elements 30: Group 2 ( SOL) has 648 elements 30: Group 3 ( non-Water) has 5 elements 30: Group 4 ( Other) has 5 elements 30: Group 5 ( METH) has 5 elements 30: Select a group: Number of (3-atomic) solvent molecules: 216 30: Using random seed 1997. 30: Replacing solvent molecule 56 (atom 168) with NA 30: Replacing solvent molecule 120 (atom 360) with NA 30: Replacing solvent molecule 182 (atom 546) with NA 30: Replacing solvent molecule 71 (atom 213) with NA 30: Replacing solvent molecule 189 (atom 567) with CL 30: Replacing solvent molecule 54 (atom 162) with CL 30: Replacing solvent molecule 155 (atom 465) with CL 30: Replacing solvent molecule 99 (atom 297) with CL 30: 30: Analysing residue names: 30: There are: 216 Water residues 30: There are: 1 Other residues 30: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups... 30: This run will generate roughly 0 Mb of data 30: Will try to add 4 NA ions and 4 CL ions. 30: Select a continuous group of solvent molecules 30: Selected 1: 'Water' 30: [ OK ] GenionTest.HighConcentrationIonPlacement (1074 ms) 30: [ RUN ] GenionTest.NoIonPlacement 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_input.mdp]: 30: rlist is equal to rvdw and/or rcoulomb: there is no explicit Verlet 30: buffer. The cluster pair list does have a buffering effect, but choosing 30: a larger rlist might be necessary for good energy conservation. 30: 30: 30: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: Setting the LD random seed to -131072087 30: Generated 331705 of the 331705 non-bonded parameter combinations 30: Generating 1-4 interactions: fudge = 0.5 30: Generated 331705 of the 331705 1-4 parameter combinations 30: Excluding 2 bonded neighbours molecule type 'SOL' 30: Excluding 3 bonded neighbours molecule type 'methane' 30: Number of degrees of freedom in T-Coupling group rest is 1308.00 30: 30: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_input.mdp]: 30: You are using a plain Coulomb cut-off, which might produce artifacts. 30: You might want to consider using PME electrostatics. 30: 30: 30: 30: There were 3 notes 30: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_spc216_with_methane.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 30: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_spc216_with_methane.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 30: No ions to add, will just copy input configuration. 30: Analysing residue names: 30: There are: 216 Water residues 30: There are: 1 Other residues 30: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups... 30: This run will generate roughly 0 Mb of data 30: [ OK ] GenionTest.NoIonPlacement (1152 ms) 30: [----------] 2 tests from GenionTest (2226 ms total) 30: 30: [----------] 1 test from GenRestrTest 30: [ RUN ] GenRestrTest.SimpleRestraintsGenerated 30: 30: Reading structure file 30: Group 0 ( System) has 156 elements 30: Group 1 ( Protein) has 156 elements 30: Group 2 ( Protein-H) has 75 elements 30: Group 3 ( C-alpha) has 10 elements 30: Group 4 ( Backbone) has 30 elements 30: Group 5 ( MainChain) has 40 elements 30: Group 6 ( MainChain+Cb) has 49 elements 30: Group 7 ( MainChain+H) has 52 elements 30: Group 8 ( SideChain) has 104 elements 30: Group 9 ( SideChain-H) has 35 elements 30: Select a group: Select group to position restrain 30: Selected 3: 'C-alpha' 30: [ OK ] GenRestrTest.SimpleRestraintsGenerated (13 ms) 30: [----------] 1 test from GenRestrTest (13 ms total) 30: 30: [----------] 9 tests from PreprocessingAtomTypesTest 30: [ RUN ] PreprocessingAtomTypesTest.EmptyOnCreate 30: [ OK ] PreprocessingAtomTypesTest.EmptyOnCreate (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.IndexOutOfRangeInvalid 30: [ OK ] PreprocessingAtomTypesTest.IndexOutOfRangeInvalid (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.AddTypeWorks 30: [ OK ] PreprocessingAtomTypesTest.AddTypeWorks (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.AddMultipleTypesWorks 30: [ OK ] PreprocessingAtomTypesTest.AddMultipleTypesWorks (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.CannotAddDuplicateEntry 30: [ OK ] PreprocessingAtomTypesTest.CannotAddDuplicateEntry (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.CorrectNameFound 30: [ OK ] PreprocessingAtomTypesTest.CorrectNameFound (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.WrongNameNotFound 30: [ OK ] PreprocessingAtomTypesTest.WrongNameNotFound (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.CorrectNameFromTypeNumber 30: [ OK ] PreprocessingAtomTypesTest.CorrectNameFromTypeNumber (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.NoNameFromIncorrectTypeNumber 30: [ OK ] PreprocessingAtomTypesTest.NoNameFromIncorrectTypeNumber (0 ms) 30: [----------] 9 tests from PreprocessingAtomTypesTest (0 ms total) 30: 30: [----------] 10 tests from PreprocessingBondAtomTypeTest 30: [ RUN ] PreprocessingBondAtomTypeTest.EmptyOnCreate 30: [ OK ] PreprocessingBondAtomTypeTest.EmptyOnCreate (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.IndexOutOfRangeInvalid 30: [ OK ] PreprocessingBondAtomTypeTest.IndexOutOfRangeInvalid (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.AddTypeWorks 30: [ OK ] PreprocessingBondAtomTypeTest.AddTypeWorks (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.AddMultipleTypesWorks 30: [ OK ] PreprocessingBondAtomTypeTest.AddMultipleTypesWorks (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.CannotAddDuplicateEntry 30: [ OK ] PreprocessingBondAtomTypeTest.CannotAddDuplicateEntry (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.ReturnsCorrectIndexOnDuplicateType 30: [ OK ] PreprocessingBondAtomTypeTest.ReturnsCorrectIndexOnDuplicateType (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.CorrectNameFound 30: [ OK ] PreprocessingBondAtomTypeTest.CorrectNameFound (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.WrongNameNotFound 30: [ OK ] PreprocessingBondAtomTypeTest.WrongNameNotFound (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.CorrectNameFromTypeNumber 30: [ OK ] PreprocessingBondAtomTypeTest.CorrectNameFromTypeNumber (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.NoNameFromIncorrectTypeNumber 30: [ OK ] PreprocessingBondAtomTypeTest.NoNameFromIncorrectTypeNumber (0 ms) 30: [----------] 10 tests from PreprocessingBondAtomTypeTest (0 ms total) 30: 30: [----------] 5 tests from InsertMoleculesTest 30: [ RUN ] InsertMoleculesTest.InsertsMoleculesIntoExistingConfiguration 30: Reading solute configuration 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Using random seed 1997 30: Try 1 success (now 8 atoms)! 30: 30: Added 1 molecules (out of 1 requested) 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoExistingConfiguration_out.gro 30: 30: Output configuration contains 8 atoms in 4 residues 30: [ OK ] InsertMoleculesTest.InsertsMoleculesIntoExistingConfiguration (33 ms) 30: [ RUN ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBox 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Using random seed 1997 30: Try 1 success (now 2 atoms)! 30: Try 2 success (now 4 atoms)! 30: Try 3 success (now 6 atoms)! 30: Try 4 success (now 8 atoms)! 30: Try 5 success (now 10 atoms)! 30: 30: Added 5 molecules (out of 5 requested) 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoEmptyBox_out.gro 30: 30: Output configuration contains 10 atoms in 10 residues 30: [ OK ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBox (15 ms) 30: [ RUN ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox 30: Reading solute configuration 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Using random seed 1997 30: Try 1 success (now 8 atoms)! 30: Try 2 success (now 10 atoms)! 30: 30: Added 2 molecules (out of 2 requested) 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoEnlargedBox_out.gro 30: 30: Output configuration contains 10 atoms in 4 residues 30: [ OK ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox (8 ms) 30: [ RUN ] InsertMoleculesTest.InsertsMoleculesWithReplacement 30: Reading solute configuration 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Using random seed 1997 30: Try 1 success (now 650 atoms)! 30: Try 2 success (now 652 atoms)! 30: Try 3 success (now 654 atoms)! 30: Try 4 success (now 656 atoms)! 30: 30: Added 4 molecules (out of 4 requested) 30: Replaced 8 residues (24 atoms) 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesWithReplacement_out.gro 30: 30: Output configuration contains 632 atoms in 212 residues 30: [ OK ] InsertMoleculesTest.InsertsMoleculesWithReplacement (82 ms) 30: [ RUN ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Using random seed 1997 30: Read 4 positions from file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoFixedPositions_5.dat 30: 30: Try 1 success (now 2 atoms)! 30: Try 2 success (now 4 atoms)! 30: Try 3 Try 4 Try 5 Try 6 Try 7 Try 8 Try 9 Try 10 Try 11 Try 12 skipped position (0.990, 2.010, 3.000) 30: Try 13 success (now 6 atoms)! 30: 30: Added 3 molecules (out of 4 requested) 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoFixedPositions_out.gro 30: 30: Output configuration contains 6 atoms in 3 residues 30: [ OK ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions (15 ms) 30: [----------] 5 tests from InsertMoleculesTest (153 ms total) 30: 30: [----------] 14 tests from GetIrTest 30: [ RUN ] GetIrTest.HandlesDifferentKindsOfMdpLines 30: Ignoring obsolete mdp entry 'title' 30: Replacing old mdp entry 'xtc_grps' by 'compressed-x-grps' 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_HandlesDifferentKindsOfMdpLines_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.HandlesDifferentKindsOfMdpLines (30 ms) 30: [ RUN ] GetIrTest.RejectsNonCommentLineWithNoEquals 30: [ OK ] GetIrTest.RejectsNonCommentLineWithNoEquals (9 ms) 30: [ RUN ] GetIrTest.AcceptsKeyWithoutValue 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsKeyWithoutValue_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsKeyWithoutValue (10 ms) 30: [ RUN ] GetIrTest.RejectsValueWithoutKey 30: [ OK ] GetIrTest.RejectsValueWithoutKey (8 ms) 30: [ RUN ] GetIrTest.RejectsEmptyKeyAndEmptyValue 30: [ OK ] GetIrTest.RejectsEmptyKeyAndEmptyValue (8 ms) 30: [ RUN ] GetIrTest.AcceptsDefineParametersWithValuesIncludingAssignment 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsDefineParametersWithValuesIncludingAssignment_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsDefineParametersWithValuesIncludingAssignment (18 ms) 30: [ RUN ] GetIrTest.AcceptsEmptyLines 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsEmptyLines_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsEmptyLines (14 ms) 30: [ RUN ] GetIrTest.AcceptsElectricField 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricField_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsElectricField (18 ms) 30: [ RUN ] GetIrTest.AcceptsElectricFieldPulsed 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricFieldPulsed_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsElectricFieldPulsed (10 ms) 30: [ RUN ] GetIrTest.AcceptsElectricFieldOscillating 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricFieldOscillating_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsElectricFieldOscillating (33 ms) 30: [ RUN ] GetIrTest.RejectsDuplicateOldAndNewKeys 30: [ OK ] GetIrTest.RejectsDuplicateOldAndNewKeys (4 ms) 30: [ RUN ] GetIrTest.AcceptsImplicitSolventNo 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsImplicitSolventNo_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsImplicitSolventNo (52 ms) 30: [ RUN ] GetIrTest.RejectsImplicitSolventYes 30: [ OK ] GetIrTest.RejectsImplicitSolventYes (307 ms) 30: [ RUN ] GetIrTest.AcceptsMimic 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsMimic_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsMimic (29 ms) 30: [----------] 14 tests from GetIrTest (550 ms total) 30: 30: [----------] 5 tests from SolvateTest 30: [ RUN ] SolvateTest.cs_box_Works 30: Reading solvent configuration 30: 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Generating solvent configuration 30: Will generate new solvent configuration of 1x1x1 boxes 30: Solvent box contains 270 atoms in 90 residues 30: Removed 129 solvent atoms due to solvent-solvent overlap 30: Sorting configuration 30: Found 1 molecule type: 30: SOL ( 3 atoms): 47 residues 30: Generated solvent containing 141 atoms in 47 residues 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_cs_box_Works_out.gro 30: 30: Output configuration contains 141 atoms in 47 residues 30: Volume : 1.331 (nm^3) 30: Density : 1056.36 (g/l) 30: Number of solvent molecules: 47 30: 30: [ OK ] SolvateTest.cs_box_Works (476 ms) 30: [ RUN ] SolvateTest.cs_cp_Works 30: Reading solute configuration 30: Reading solvent configuration 30: 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Generating solvent configuration 30: Will generate new solvent configuration of 2x2x2 boxes 30: Solvent box contains 3660 atoms in 1220 residues 30: Removed 987 solvent atoms due to solvent-solvent overlap 30: Removed 15 solvent atoms due to solute-solvent overlap 30: Sorting configuration 30: Found 1 molecule type: 30: SOL ( 3 atoms): 886 residues 30: Generated solvent containing 2658 atoms in 886 residues 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_cs_cp_Works_out.gro 30: 30: Output configuration contains 2664 atoms in 888 residues 30: Volume : 27.2709 (nm^3) 30: Density : 974.777 (g/l) 30: Number of solvent molecules: 886 30: 30: [ OK ] SolvateTest.cs_cp_Works (57 ms) 30: [ RUN ] SolvateTest.cs_cp_p_Works 30: Reading solute configuration 30: Reading solvent configuration 30: 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Generating solvent configuration 30: Will generate new solvent configuration of 2x2x2 boxes 30: Solvent box contains 3660 atoms in 1220 residues 30: Removed 987 solvent atoms due to solvent-solvent overlap 30: Removed 15 solvent atoms due to solute-solvent overlap 30: Sorting configuration 30: Found 1 molecule type: 30: SOL ( 3 atoms): 886 residues 30: Generated solvent containing 2658 atoms in 886 residues 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_cs_cp_p_Works_out.gro 30: 30: Output configuration contains 2664 atoms in 888 residues 30: Volume : 27.2709 (nm^3) 30: Density : 974.777 (g/l) 30: Number of solvent molecules: 886 30: 30: Processing topology 30: Adding line for 886 solvent molecules with resname (SOL) to topology file (/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_cs_cp_p_Works_spc-and-methanol.top) 30: [ OK ] SolvateTest.cs_cp_p_Works (174 ms) 30: [ RUN ] SolvateTest.shell_Works 30: Reading solute configuration 30: Reading solvent configuration 30: 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Generating solvent configuration 30: Will generate new solvent configuration of 2x2x2 boxes 30: Solvent box contains 3660 atoms in 1220 residues 30: Removed 987 solvent atoms due to solvent-solvent overlap 30: Removed 1902 solvent atoms more than 1.000000 nm from solute. 30: Removed 15 solvent atoms due to solute-solvent overlap 30: Sorting configuration 30: Found 1 molecule type: 30: SOL ( 3 atoms): 252 residues 30: Generated solvent containing 756 atoms in 252 residues 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_shell_Works_out.gro 30: 30: Output configuration contains 762 atoms in 254 residues 30: Volume : 27.2709 (nm^3) 30: Density : 279.3 (g/l) 30: Number of solvent molecules: 252 30: 30: [ OK ] SolvateTest.shell_Works (92 ms) 30: [ RUN ] SolvateTest.update_Topology_Works 30: Reading solute configuration 30: Reading solvent configuration 30: 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Generating solvent configuration 30: Will generate new solvent configuration of 3x3x3 boxes 30: Solvent box contains 14952 atoms in 4984 residues 30: Removed 2787 solvent atoms due to solvent-solvent overlap 30: Removed 30 solvent atoms due to solute-solvent overlap 30: Sorting configuration 30: Found 2 different molecule types: 30: HOH ( 3 atoms): 1876 residues 30: SOL ( 3 atoms): 2169 residues 30: Generated solvent containing 0 atoms in 0 residues 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_out.gro 30: 30: Output configuration contains 12141 atoms in 4047 residues 30: Volume : 125 (nm^3) 30: Density : 968.963 (g/l) 30: Number of solvent molecules: 4045 30: 30: Processing topology 30: Adding line for 1876 solvent molecules with resname (HOH) to topology file (/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_simple.top) 30: Adding line for 2169 solvent molecules with resname (SOL) to topology file (/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_simple.top) 30: [ OK ] SolvateTest.update_Topology_Works (2076 ms) 30: [----------] 5 tests from SolvateTest (2875 ms total) 30: 30: [----------] 1 test from TopDirTests 30: [ RUN ] TopDirTests.NamesArrayHasCorrectSize 30: [ OK ] TopDirTests.NamesArrayHasCorrectSize (0 ms) 30: [----------] 1 test from TopDirTests (0 ms total) 30: 30: [----------] 18 tests from SinglePeptideFragments/EditconfTest 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/0 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/0 (130 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/1 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/1 (17 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/2 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/2 (33 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/3 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/3 (16 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/4 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/4 (9 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/5 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/5 (12 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/6 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/6 (19 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/7 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/7 (13 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/8 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFile/8 (13 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/0 30: 30: Select a group for output: 30: Group 0 ( two_residues) has 23 elements 30: There is one group in the index 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/0 (33 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/1 30: 30: Select a group for output: 30: Group 0 ( two_residues) has 23 elements 30: There is one group in the index 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/1 (19 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/2 30: 30: Select a group for output: 30: Group 0 ( two_residues) has 23 elements 30: There is one group in the index 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/2 (16 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/3 30: 30: Select a group for output: 30: Group 0 ( two_residues) has 23 elements 30: There is one group in the index 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/3 (11 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/4 30: 30: Select a group for output: 30: Group 0 ( two_residues) has 23 elements 30: There is one group in the index 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/4 (8 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/5 30: 30: Select a group for output: 30: Group 0 ( two_residues) has 23 elements 30: There is one group in the index 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/5 (8 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/6 30: 30: Select a group for output: 30: Group 0 ( two_residues) has 23 elements 30: There is one group in the index 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/6 (30 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/7 30: 30: Select a group for output: 30: Group 0 ( two_residues) has 23 elements 30: There is one group in the index 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/7 (38 ms) 30: [ RUN ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/8 30: 30: Select a group for output: 30: Group 0 ( two_residues) has 23 elements 30: There is one group in the index 30: Note that major changes are planned in future for editconf, to improve usability and utility. 30: Read 252 atoms 30: Volume: 338.104 nm^3, corresponds to roughly 152100 electrons 30: No velocities found 30: [ OK ] SinglePeptideFragments/EditconfTest.ProducesMatchingOutputStructureFileUsingIndexGroup/8 (5 ms) 30: [----------] 18 tests from SinglePeptideFragments/EditconfTest (430 ms total) 30: 30: [----------] Global test environment tear-down 30: [==========] 69 tests from 10 test cases ran. (7204 ms total) 30: [ PASSED ] 69 tests. 30/54 Test #30: GmxPreprocessTests .................. Passed 7.22 sec test 31 Start 31: Pdb2gmx1Test 31: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/pdb2gmx1-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/Pdb2gmx1Test.xml" 31: Test timeout computed to be: 30 31: [==========] Running 24 tests from 1 test case. 31: [----------] Global test environment set-up. 31: [----------] 24 tests from ForOplsaa/Pdb2gmxTest 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/0 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 25 donors and 23 acceptors were found. 31: There are 41 hydrogen bonds 31: Will use HISE for residue 8 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS3 HIS8 31: SG9 NE251 31: HIS8 NE251 1.055 31: MET12 SD83 0.763 0.990 31: Making bonds... 31: Number of bonds was 254, now 254 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 653 pairs 31: Before cleaning: 663 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 663 dihedrals, 51 impropers, 457 angles 31: 650 pairs, 254 bonds and 0 virtual sites 31: Total mass 1846.112 a.m.u. 31: Total charge -0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 31: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 128 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (128 atoms, 16 residues) 31: Identified residue ALA2 as a starting terminus. 31: Identified residue SER17 as a ending terminus. 31: Start terminus ALA-2: NH3+ 31: End terminus SER-17: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 252 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/0 (660 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/1 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 30 donors and 22 acceptors were found. 31: There are 36 hydrogen bonds 31: Will use HISE for residue 29 31: Will use HISE for residue 32 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS27 HIS29 31: SG90 NE2111 31: HIS29 NE2111 0.987 31: HIS32 NE2135 1.590 1.155 31: Making bonds... 31: Number of bonds was 290, now 290 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 748 pairs 31: Before cleaning: 778 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 778 dihedrals, 72 impropers, 516 angles 31: 736 pairs, 290 bonds and 0 virtual sites 31: Total mass 2088.357 a.m.u. 31: Total charge 1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 31: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 149 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (149 atoms, 16 residues) 31: Identified residue THR18 as a starting terminus. 31: Identified residue PHE33 as a ending terminus. 31: Start terminus THR-18: NH3+ 31: End terminus PHE-33: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 281 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/1 (1773 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/2 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 22 acceptors were found. 31: There are 26 hydrogen bonds 31: Will use HISE for residue 45 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS45 31: NE295 31: MET46 SD102 1.078 31: Making bonds... 31: Number of bonds was 261, now 261 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 676 pairs 31: Before cleaning: 696 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 696 dihedrals, 56 impropers, 472 angles 31: 667 pairs, 261 bonds and 0 virtual sites 31: Total mass 1861.128 a.m.u. 31: Total charge -1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 31: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 132 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (132 atoms, 16 residues) 31: Identified residue ALA34 as a starting terminus. 31: Identified residue ALA49 as a ending terminus. 31: Start terminus ALA-34: NH3+ 31: End terminus ALA-49: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 255 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/2 (289 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/3 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 21 acceptors were found. 31: There are 30 hydrogen bonds 31: Will use HISE for residue 60 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS60 31: NE285 31: CYS62 SG98 0.803 31: Making bonds... 31: Number of bonds was 232, now 232 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 603 pairs 31: Before cleaning: 618 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 618 dihedrals, 48 impropers, 419 angles 31: 597 pairs, 232 bonds and 0 virtual sites 31: Total mass 1662.883 a.m.u. 31: Total charge -0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 31: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 117 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (117 atoms, 16 residues) 31: Identified residue LYS50 as a starting terminus. 31: Identified residue PRO65 as a ending terminus. 31: Start terminus LYS-50: NH3+ 31: End terminus PRO-65: PRO-COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 228 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/3 (363 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/4 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 25 donors and 23 acceptors were found. 31: There are 41 hydrogen bonds 31: Will use HISE for residue 8 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS3 HIS8 31: SG9 NE251 31: HIS8 NE251 1.055 31: MET12 SD83 0.763 0.990 31: Making bonds... 31: Number of bonds was 254, now 254 31: Marked 124 virtual sites 31: Added 16 dummy masses 31: Added 26 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 653 pairs 31: Before cleaning: 663 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 663 dihedrals, 51 impropers, 457 angles 31: 650 pairs, 254 bonds and 130 virtual sites 31: Total mass 1846.112 a.m.u. 31: Total charge -0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 31: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 128 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (128 atoms, 16 residues) 31: Identified residue ALA2 as a starting terminus. 31: Identified residue SER17 as a ending terminus. 31: Start terminus ALA-2: NH3+ 31: End terminus SER-17: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 252 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/4 (144 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/5 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 30 donors and 22 acceptors were found. 31: There are 36 hydrogen bonds 31: Will use HISE for residue 29 31: Will use HISE for residue 32 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS27 HIS29 31: SG90 NE2111 31: HIS29 NE2111 0.987 31: HIS32 NE2135 1.590 1.155 31: Making bonds... 31: Number of bonds was 290, now 290 31: Marked 132 virtual sites 31: Added 10 dummy masses 31: Added 19 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 748 pairs 31: Before cleaning: 778 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 778 dihedrals, 72 impropers, 516 angles 31: 736 pairs, 290 bonds and 133 virtual sites 31: Total mass 2088.357 a.m.u. 31: Total charge 1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 31: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 149 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (149 atoms, 16 residues) 31: Identified residue THR18 as a starting terminus. 31: Identified residue PHE33 as a ending terminus. 31: Start terminus THR-18: NH3+ 31: End terminus PHE-33: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 281 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/5 (1101 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/6 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 22 acceptors were found. 31: There are 26 hydrogen bonds 31: Will use HISE for residue 45 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS45 31: NE295 31: MET46 SD102 1.078 31: Making bonds... 31: Number of bonds was 261, now 261 31: Marked 123 virtual sites 31: Added 22 dummy masses 31: Added 35 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 676 pairs 31: Before cleaning: 696 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 696 dihedrals, 56 impropers, 472 angles 31: 667 pairs, 261 bonds and 132 virtual sites 31: Total mass 1861.128 a.m.u. 31: Total charge -1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 31: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 132 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (132 atoms, 16 residues) 31: Identified residue ALA34 as a starting terminus. 31: Identified residue ALA49 as a ending terminus. 31: Start terminus ALA-34: NH3+ 31: End terminus ALA-49: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 255 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/6 (3943 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/7 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 21 acceptors were found. 31: There are 30 hydrogen bonds 31: Will use HISE for residue 60 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS60 31: NE285 31: CYS62 SG98 0.803 31: Making bonds... 31: Number of bonds was 232, now 232 31: Marked 111 virtual sites 31: Added 18 dummy masses 31: Added 31 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 603 pairs 31: Before cleaning: 618 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 618 dihedrals, 48 impropers, 419 angles 31: 597 pairs, 232 bonds and 116 virtual sites 31: Total mass 1662.883 a.m.u. 31: Total charge -0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 31: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 117 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (117 atoms, 16 residues) 31: Identified residue LYS50 as a starting terminus. 31: Identified residue PRO65 as a ending terminus. 31: Start terminus LYS-50: NH3+ 31: End terminus PRO-65: PRO-COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 228 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/7 (218 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/8 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 25 donors and 23 acceptors were found. 31: There are 41 hydrogen bonds 31: Will use HISE for residue 8 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS3 HIS8 31: SG9 NE251 31: HIS8 NE251 1.055 31: MET12 SD83 0.763 0.990 31: Making bonds... 31: Number of bonds was 254, now 254 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 653 pairs 31: Before cleaning: 663 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 663 dihedrals, 51 impropers, 457 angles 31: 650 pairs, 254 bonds and 0 virtual sites 31: Total mass 1846.112 a.m.u. 31: Total charge -0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 31: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 128 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (128 atoms, 16 residues) 31: Identified residue ALA2 as a starting terminus. 31: Identified residue SER17 as a ending terminus. 31: Start terminus ALA-2: NH3+ 31: End terminus SER-17: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 252 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/8 (1774 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/9 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 30 donors and 22 acceptors were found. 31: There are 36 hydrogen bonds 31: Will use HISE for residue 29 31: Will use HISE for residue 32 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS27 HIS29 31: SG90 NE2111 31: HIS29 NE2111 0.987 31: HIS32 NE2135 1.590 1.155 31: Making bonds... 31: Number of bonds was 290, now 290 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 748 pairs 31: Before cleaning: 778 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 778 dihedrals, 72 impropers, 516 angles 31: 736 pairs, 290 bonds and 0 virtual sites 31: Total mass 2088.357 a.m.u. 31: Total charge 1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 31: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 149 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (149 atoms, 16 residues) 31: Identified residue THR18 as a starting terminus. 31: Identified residue PHE33 as a ending terminus. 31: Start terminus THR-18: NH3+ 31: End terminus PHE-33: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 281 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/9 (113 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/10 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 22 acceptors were found. 31: There are 26 hydrogen bonds 31: Will use HISE for residue 45 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS45 31: NE295 31: MET46 SD102 1.078 31: Making bonds... 31: Number of bonds was 261, now 261 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 676 pairs 31: Before cleaning: 696 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 696 dihedrals, 56 impropers, 472 angles 31: 667 pairs, 261 bonds and 0 virtual sites 31: Total mass 1861.128 a.m.u. 31: Total charge -1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 31: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 132 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (132 atoms, 16 residues) 31: Identified residue ALA34 as a starting terminus. 31: Identified residue ALA49 as a ending terminus. 31: Start terminus ALA-34: NH3+ 31: End terminus ALA-49: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 255 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/10 (142 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/11 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 21 acceptors were found. 31: There are 30 hydrogen bonds 31: Will use HISE for residue 60 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS60 31: NE285 31: CYS62 SG98 0.803 31: Making bonds... 31: Number of bonds was 232, now 232 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 603 pairs 31: Before cleaning: 618 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 618 dihedrals, 48 impropers, 419 angles 31: 597 pairs, 232 bonds and 0 virtual sites 31: Total mass 1662.883 a.m.u. 31: Total charge -0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 31: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 117 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (117 atoms, 16 residues) 31: Identified residue LYS50 as a starting terminus. 31: Identified residue PRO65 as a ending terminus. 31: Start terminus LYS-50: NH3+ 31: End terminus PRO-65: PRO-COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 228 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/11 (166 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/12 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 25 donors and 23 acceptors were found. 31: There are 41 hydrogen bonds 31: Will use HISE for residue 8 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS3 HIS8 31: SG9 NE251 31: HIS8 NE251 1.055 31: MET12 SD83 0.763 0.990 31: Making bonds... 31: Number of bonds was 254, now 254 31: Marked 124 virtual sites 31: Added 16 dummy masses 31: Added 26 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 653 pairs 31: Before cleaning: 663 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 663 dihedrals, 51 impropers, 457 angles 31: 650 pairs, 254 bonds and 130 virtual sites 31: Total mass 1846.112 a.m.u. 31: Total charge -0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 31: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 128 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (128 atoms, 16 residues) 31: Identified residue ALA2 as a starting terminus. 31: Identified residue SER17 as a ending terminus. 31: Start terminus ALA-2: NH3+ 31: End terminus SER-17: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 252 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/12 (1014 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/13 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 30 donors and 22 acceptors were found. 31: There are 36 hydrogen bonds 31: Will use HISE for residue 29 31: Will use HISE for residue 32 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS27 HIS29 31: SG90 NE2111 31: HIS29 NE2111 0.987 31: HIS32 NE2135 1.590 1.155 31: Making bonds... 31: Number of bonds was 290, now 290 31: Marked 132 virtual sites 31: Added 10 dummy masses 31: Added 19 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 748 pairs 31: Before cleaning: 778 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 778 dihedrals, 72 impropers, 516 angles 31: 736 pairs, 290 bonds and 133 virtual sites 31: Total mass 2088.357 a.m.u. 31: Total charge 1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 31: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 149 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (149 atoms, 16 residues) 31: Identified residue THR18 as a starting terminus. 31: Identified residue PHE33 as a ending terminus. 31: Start terminus THR-18: NH3+ 31: End terminus PHE-33: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 281 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/13 (647 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/14 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 22 acceptors were found. 31: There are 26 hydrogen bonds 31: Will use HISE for residue 45 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS45 31: NE295 31: MET46 SD102 1.078 31: Making bonds... 31: Number of bonds was 261, now 261 31: Marked 123 virtual sites 31: Added 22 dummy masses 31: Added 35 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 676 pairs 31: Before cleaning: 696 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 696 dihedrals, 56 impropers, 472 angles 31: 667 pairs, 261 bonds and 132 virtual sites 31: Total mass 1861.128 a.m.u. 31: Total charge -1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 31: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 132 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (132 atoms, 16 residues) 31: Identified residue ALA34 as a starting terminus. 31: Identified residue ALA49 as a ending terminus. 31: Start terminus ALA-34: NH3+ 31: End terminus ALA-49: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 255 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/14 (673 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/15 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 21 acceptors were found. 31: There are 30 hydrogen bonds 31: Will use HISE for residue 60 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS60 31: NE285 31: CYS62 SG98 0.803 31: Making bonds... 31: Number of bonds was 232, now 232 31: Marked 111 virtual sites 31: Added 18 dummy masses 31: Added 31 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 603 pairs 31: Before cleaning: 618 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 618 dihedrals, 48 impropers, 419 angles 31: 597 pairs, 232 bonds and 116 virtual sites 31: Total mass 1662.883 a.m.u. 31: Total charge -0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 31: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 117 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (117 atoms, 16 residues) 31: Identified residue LYS50 as a starting terminus. 31: Identified residue PRO65 as a ending terminus. 31: Start terminus LYS-50: NH3+ 31: End terminus PRO-65: PRO-COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 228 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/15 (733 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/16 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 25 donors and 23 acceptors were found. 31: There are 41 hydrogen bonds 31: Will use HISE for residue 8 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS3 HIS8 31: SG9 NE251 31: HIS8 NE251 1.055 31: MET12 SD83 0.763 0.990 31: Making bonds... 31: Number of bonds was 254, now 254 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 653 pairs 31: Before cleaning: 663 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 663 dihedrals, 51 impropers, 457 angles 31: 650 pairs, 254 bonds and 0 virtual sites 31: Total mass 1846.112 a.m.u. 31: Total charge -0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 31: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 128 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (128 atoms, 16 residues) 31: Identified residue ALA2 as a starting terminus. 31: Identified residue SER17 as a ending terminus. 31: Start terminus ALA-2: NH3+ 31: End terminus SER-17: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 252 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/16 (111 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/17 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 30 donors and 22 acceptors were found. 31: There are 36 hydrogen bonds 31: Will use HISE for residue 29 31: Will use HISE for residue 32 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS27 HIS29 31: SG90 NE2111 31: HIS29 NE2111 0.987 31: HIS32 NE2135 1.590 1.155 31: Making bonds... 31: Number of bonds was 290, now 290 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 748 pairs 31: Before cleaning: 778 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 778 dihedrals, 72 impropers, 516 angles 31: 736 pairs, 290 bonds and 0 virtual sites 31: Total mass 2088.357 a.m.u. 31: Total charge 1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 31: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 149 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (149 atoms, 16 residues) 31: Identified residue THR18 as a starting terminus. 31: Identified residue PHE33 as a ending terminus. 31: Start terminus THR-18: NH3+ 31: End terminus PHE-33: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 281 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/17 (185 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/18 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 22 acceptors were found. 31: There are 26 hydrogen bonds 31: Will use HISE for residue 45 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS45 31: NE295 31: MET46 SD102 1.078 31: Making bonds... 31: Number of bonds was 261, now 261 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 676 pairs 31: Before cleaning: 696 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 696 dihedrals, 56 impropers, 472 angles 31: 667 pairs, 261 bonds and 0 virtual sites 31: Total mass 1861.128 a.m.u. 31: Total charge -1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 31: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 132 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (132 atoms, 16 residues) 31: Identified residue ALA34 as a starting terminus. 31: Identified residue ALA49 as a ending terminus. 31: Start terminus ALA-34: NH3+ 31: End terminus ALA-49: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 255 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/18 (487 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/19 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 21 acceptors were found. 31: There are 30 hydrogen bonds 31: Will use HISE for residue 60 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS60 31: NE285 31: CYS62 SG98 0.803 31: Making bonds... 31: Number of bonds was 232, now 232 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 603 pairs 31: Before cleaning: 618 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 618 dihedrals, 48 impropers, 419 angles 31: 597 pairs, 232 bonds and 0 virtual sites 31: Total mass 1662.883 a.m.u. 31: Total charge -0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 31: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 117 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (117 atoms, 16 residues) 31: Identified residue LYS50 as a starting terminus. 31: Identified residue PRO65 as a ending terminus. 31: Start terminus LYS-50: NH3+ 31: End terminus PRO-65: PRO-COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 228 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/19 (313 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/20 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 25 donors and 23 acceptors were found. 31: There are 41 hydrogen bonds 31: Will use HISE for residue 8 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS3 HIS8 31: SG9 NE251 31: HIS8 NE251 1.055 31: MET12 SD83 0.763 0.990 31: Making bonds... 31: Number of bonds was 254, now 254 31: Marked 124 virtual sites 31: Added 16 dummy masses 31: Added 26 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 653 pairs 31: Before cleaning: 663 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 663 dihedrals, 51 impropers, 457 angles 31: 650 pairs, 254 bonds and 130 virtual sites 31: Total mass 1846.112 a.m.u. 31: Total charge -0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 31: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 128 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (128 atoms, 16 residues) 31: Identified residue ALA2 as a starting terminus. 31: Identified residue SER17 as a ending terminus. 31: Start terminus ALA-2: NH3+ 31: End terminus SER-17: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 252 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/20 (250 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/21 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 30 donors and 22 acceptors were found. 31: There are 36 hydrogen bonds 31: Will use HISE for residue 29 31: Will use HISE for residue 32 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS27 HIS29 31: SG90 NE2111 31: HIS29 NE2111 0.987 31: HIS32 NE2135 1.590 1.155 31: Making bonds... 31: Number of bonds was 290, now 290 31: Marked 132 virtual sites 31: Added 10 dummy masses 31: Added 19 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 748 pairs 31: Before cleaning: 778 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 778 dihedrals, 72 impropers, 516 angles 31: 736 pairs, 290 bonds and 133 virtual sites 31: Total mass 2088.357 a.m.u. 31: Total charge 1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 31: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 149 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (149 atoms, 16 residues) 31: Identified residue THR18 as a starting terminus. 31: Identified residue PHE33 as a ending terminus. 31: Start terminus THR-18: NH3+ 31: End terminus PHE-33: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 281 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/21 (119 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/22 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 22 acceptors were found. 31: There are 26 hydrogen bonds 31: Will use HISE for residue 45 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS45 31: NE295 31: MET46 SD102 1.078 31: Making bonds... 31: Number of bonds was 261, now 261 31: Marked 123 virtual sites 31: Added 22 dummy masses 31: Added 35 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 676 pairs 31: Before cleaning: 696 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 696 dihedrals, 56 impropers, 472 angles 31: 667 pairs, 261 bonds and 132 virtual sites 31: Total mass 1861.128 a.m.u. 31: Total charge -1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 31: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 132 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (132 atoms, 16 residues) 31: Identified residue ALA34 as a starting terminus. 31: Identified residue ALA49 as a ending terminus. 31: Start terminus ALA-34: NH3+ 31: End terminus ALA-49: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 255 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/22 (108 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/23 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 21 acceptors were found. 31: There are 30 hydrogen bonds 31: Will use HISE for residue 60 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS60 31: NE285 31: CYS62 SG98 0.803 31: Making bonds... 31: Number of bonds was 232, now 232 31: Marked 111 virtual sites 31: Added 18 dummy masses 31: Added 31 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 603 pairs 31: Before cleaning: 618 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 618 dihedrals, 48 impropers, 419 angles 31: 597 pairs, 232 bonds and 116 virtual sites 31: Total mass 1662.883 a.m.u. 31: Total charge -0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 31: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 117 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (117 atoms, 16 residues) 31: Identified residue LYS50 as a starting terminus. 31: Identified residue PRO65 as a ending terminus. 31: Start terminus LYS-50: NH3+ 31: End terminus PRO-65: PRO-COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 228 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/23 (234 ms) 31: [----------] 24 tests from ForOplsaa/Pdb2gmxTest (15562 ms total) 31: 31: [----------] Global test environment tear-down 31: [==========] 24 tests from 1 test case ran. (15562 ms total) 31: [ PASSED ] 24 tests. 31/54 Test #31: Pdb2gmx1Test ........................ Passed 15.57 sec test 32 Start 32: Pdb2gmx2Test 32: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/pdb2gmx2-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/Pdb2gmx2Test.xml" 32: Test timeout computed to be: 30 32: [==========] Running 32 tests from 2 test cases. 32: [----------] Global test environment set-up. 32: [----------] 16 tests from ForGromos43a1/Pdb2gmxTest 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/0 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 172, now 167 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 305 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 77 impropers, 241 angles 32: 267 pairs, 167 bonds and 0 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 165 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/0 (1064 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/1 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 216, now 211 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 429 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 134 impropers, 316 angles 32: 273 pairs, 211 bonds and 0 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 202 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/1 (176 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/2 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 179, now 174 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 349 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 102 impropers, 260 angles 32: 242 pairs, 174 bonds and 0 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 168 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/2 (212 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/3 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 159, now 154 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 299 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 80 impropers, 227 angles 32: 232 pairs, 154 bonds and 0 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 150 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/3 (87 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/4 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 172, now 167 32: Marked 37 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 305 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 77 impropers, 241 angles 32: 267 pairs, 167 bonds and 37 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 165 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/4 (86 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/5 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 216, now 211 32: Marked 53 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 429 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 134 impropers, 316 angles 32: 273 pairs, 211 bonds and 51 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 202 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/5 (83 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/6 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 179, now 174 32: Marked 36 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 349 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 102 impropers, 260 angles 32: 242 pairs, 174 bonds and 36 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 168 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/6 (160 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/7 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 159, now 154 32: Marked 33 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 299 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 80 impropers, 227 angles 32: 232 pairs, 154 bonds and 31 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 150 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/7 (193 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/8 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 172, now 167 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 305 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 77 impropers, 241 angles 32: 267 pairs, 167 bonds and 0 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 165 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/8 (50 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/9 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 216, now 211 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 429 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 134 impropers, 316 angles 32: 273 pairs, 211 bonds and 0 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 202 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/9 (472 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/10 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 179, now 174 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 349 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 102 impropers, 260 angles 32: 242 pairs, 174 bonds and 0 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 168 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/10 (100 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/11 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 159, now 154 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 299 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 80 impropers, 227 angles 32: 232 pairs, 154 bonds and 0 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 150 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/11 (662 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/12 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 172, now 167 32: Marked 37 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 305 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 77 impropers, 241 angles 32: 267 pairs, 167 bonds and 37 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 165 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/12 (90 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/13 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 216, now 211 32: Marked 53 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 429 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 134 impropers, 316 angles 32: 273 pairs, 211 bonds and 51 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 202 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/13 (1215 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/14 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 179, now 174 32: Marked 36 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 349 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 102 impropers, 260 angles 32: 242 pairs, 174 bonds and 36 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 168 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/14 (56 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/15 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 159, now 154 32: Marked 33 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 299 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 80 impropers, 227 angles 32: 232 pairs, 154 bonds and 31 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 150 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/15 (732 ms) 32: [----------] 16 tests from ForGromos43a1/Pdb2gmxTest (5439 ms total) 32: 32: [----------] 16 tests from ForGromos53a6/Pdb2gmxTest 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/0 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 174, now 169 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 312 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 79 impropers, 245 angles 32: 267 pairs, 169 bonds and 0 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge -0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 167 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/0 (248 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/1 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 220, now 215 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 443 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 138 impropers, 324 angles 32: 273 pairs, 215 bonds and 0 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 206 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/1 (93 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/2 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 181, now 176 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 356 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 104 impropers, 264 angles 32: 242 pairs, 176 bonds and 0 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 170 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/2 (60 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/3 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 161, now 156 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 306 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 82 impropers, 231 angles 32: 232 pairs, 156 bonds and 0 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge -0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 152 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/3 (70 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/4 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 174, now 169 32: Marked 39 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 312 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 79 impropers, 245 angles 32: 267 pairs, 169 bonds and 39 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge -0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 167 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/4 (62 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/5 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 220, now 215 32: Marked 57 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 443 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 138 impropers, 324 angles 32: 273 pairs, 215 bonds and 55 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 206 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/5 (70 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/6 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 181, now 176 32: Marked 38 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 356 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 104 impropers, 264 angles 32: 242 pairs, 176 bonds and 38 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 170 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/6 (76 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/7 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 161, now 156 32: Marked 35 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 306 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 82 impropers, 231 angles 32: 232 pairs, 156 bonds and 33 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge -0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 152 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/7 (68 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/8 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 174, now 169 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 312 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 79 impropers, 245 angles 32: 267 pairs, 169 bonds and 0 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge -0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 167 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/8 (83 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/9 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 220, now 215 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 443 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 138 impropers, 324 angles 32: 273 pairs, 215 bonds and 0 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 206 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/9 (91 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/10 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 181, now 176 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 356 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 104 impropers, 264 angles 32: 242 pairs, 176 bonds and 0 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 170 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/10 (100 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/11 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 161, now 156 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 306 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 82 impropers, 231 angles 32: 232 pairs, 156 bonds and 0 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge -0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 152 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/11 (133 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/12 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 174, now 169 32: Marked 39 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 312 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 79 impropers, 245 angles 32: 267 pairs, 169 bonds and 39 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge -0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 167 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/12 (79 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/13 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 220, now 215 32: Marked 57 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 443 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 138 impropers, 324 angles 32: 273 pairs, 215 bonds and 55 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 206 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/13 (186 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/14 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 181, now 176 32: Marked 38 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 356 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 104 impropers, 264 angles 32: 242 pairs, 176 bonds and 38 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 170 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/14 (416 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/15 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 161, now 156 32: Marked 35 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 306 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 82 impropers, 231 angles 32: 232 pairs, 156 bonds and 33 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge -0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 152 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/15 (116 ms) 32: [----------] 16 tests from ForGromos53a6/Pdb2gmxTest (1954 ms total) 32: 32: [----------] Global test environment tear-down 32: [==========] 32 tests from 2 test cases ran. (7393 ms total) 32: [ PASSED ] 32 tests. 32/54 Test #32: Pdb2gmx2Test ........................ Passed 7.44 sec test 33 Start 33: Pdb2gmx3Test 33: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/pdb2gmx3-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/Pdb2gmx3Test.xml" 33: Test timeout computed to be: 30 33: [==========] Running 28 tests from 4 test cases. 33: [----------] Global test environment set-up. 33: [----------] 8 tests from ForAmber99sb_ildn/Pdb2gmxTest 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/0 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 255, now 254 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 653 pairs 33: Before cleaning: 691 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 691 dihedrals, 51 impropers, 457 angles 33: 650 pairs, 254 bonds and 0 virtual sites 33: Total mass 1846.132 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 128 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (128 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 252 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/0 (687 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/1 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 30 donors and 22 acceptors were found. 33: There are 36 hydrogen bonds 33: Will use HISE for residue 29 33: Will use HISE for residue 32 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS27 HIS29 33: SG90 NE2111 33: HIS29 NE2111 0.987 33: HIS32 NE2135 1.590 1.155 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 291, now 290 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 748 pairs 33: Before cleaning: 788 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 788 dihedrals, 72 impropers, 516 angles 33: 736 pairs, 290 bonds and 0 virtual sites 33: Total mass 2088.366 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 33: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 149 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (149 atoms, 16 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue PHE33 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 281 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/1 (153 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/2 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 22 acceptors were found. 33: There are 26 hydrogen bonds 33: Will use HISE for residue 45 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS45 33: NE295 33: MET46 SD102 1.078 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 262, now 261 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 676 pairs 33: Before cleaning: 727 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 727 dihedrals, 56 impropers, 472 angles 33: 667 pairs, 261 bonds and 0 virtual sites 33: Total mass 1861.124 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 33: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 132 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (132 atoms, 16 residues) 33: Identified residue ALA34 as a starting terminus. 33: Identified residue ALA49 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 255 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/2 (476 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/3 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 21 acceptors were found. 33: There are 30 hydrogen bonds 33: Will use HISE for residue 60 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS60 33: NE285 33: CYS62 SG98 0.803 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 233, now 232 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 603 pairs 33: Before cleaning: 634 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 634 dihedrals, 48 impropers, 419 angles 33: 597 pairs, 232 bonds and 0 virtual sites 33: Total mass 1662.888 a.m.u. 33: Total charge -0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 33: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 117 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (117 atoms, 16 residues) 33: Identified residue LYS50 as a starting terminus. 33: Identified residue PRO65 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 228 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/3 (1178 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/4 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 255, now 254 33: Marked 124 virtual sites 33: Added 16 dummy masses 33: Added 26 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 653 pairs 33: Before cleaning: 691 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 691 dihedrals, 51 impropers, 457 angles 33: 650 pairs, 254 bonds and 130 virtual sites 33: Total mass 1846.132 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 128 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (128 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 252 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/4 (89 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/5 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 30 donors and 22 acceptors were found. 33: There are 36 hydrogen bonds 33: Will use HISE for residue 29 33: Will use HISE for residue 32 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS27 HIS29 33: SG90 NE2111 33: HIS29 NE2111 0.987 33: HIS32 NE2135 1.590 1.155 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 291, now 290 33: Marked 132 virtual sites 33: Added 10 dummy masses 33: Added 19 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 748 pairs 33: Before cleaning: 788 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 788 dihedrals, 72 impropers, 516 angles 33: 736 pairs, 290 bonds and 133 virtual sites 33: Total mass 2088.366 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 33: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 149 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (149 atoms, 16 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue PHE33 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 281 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/5 (115 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/6 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 22 acceptors were found. 33: There are 26 hydrogen bonds 33: Will use HISE for residue 45 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS45 33: NE295 33: MET46 SD102 1.078 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 262, now 261 33: Marked 123 virtual sites 33: Added 22 dummy masses 33: Added 35 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 676 pairs 33: Before cleaning: 727 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 727 dihedrals, 56 impropers, 472 angles 33: 667 pairs, 261 bonds and 132 virtual sites 33: Total mass 1861.124 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 33: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 132 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (132 atoms, 16 residues) 33: Identified residue ALA34 as a starting terminus. 33: Identified residue ALA49 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 255 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/6 (139 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/7 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 21 acceptors were found. 33: There are 30 hydrogen bonds 33: Will use HISE for residue 60 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS60 33: NE285 33: CYS62 SG98 0.803 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 233, now 232 33: Marked 111 virtual sites 33: Added 18 dummy masses 33: Added 31 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 603 pairs 33: Before cleaning: 634 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 634 dihedrals, 48 impropers, 419 angles 33: 597 pairs, 232 bonds and 116 virtual sites 33: Total mass 1662.888 a.m.u. 33: Total charge -0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 33: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 117 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (117 atoms, 16 residues) 33: Identified residue LYS50 as a starting terminus. 33: Identified residue PRO65 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 228 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/7 (397 ms) 33: [----------] 8 tests from ForAmber99sb_ildn/Pdb2gmxTest (3245 ms total) 33: 33: [----------] 8 tests from ForCharmm27/Pdb2gmxTest 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/0 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 254, now 254 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 653 pairs 33: Before cleaning: 663 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 663 dihedrals, 48 impropers, 457 angles 33: 650 pairs, 254 bonds and 0 virtual sites 33: Total mass 1846.115 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 128 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (128 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 252 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/0 (534 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/1 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 30 donors and 22 acceptors were found. 33: There are 36 hydrogen bonds 33: Will use HISE for residue 29 33: Will use HISE for residue 32 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS27 HIS29 33: SG90 NE2111 33: HIS29 NE2111 0.987 33: HIS32 NE2135 1.590 1.155 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 290, now 290 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 748 pairs 33: Before cleaning: 778 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 778 dihedrals, 49 impropers, 516 angles 33: 736 pairs, 290 bonds and 0 virtual sites 33: Total mass 2088.361 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 33: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 149 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (149 atoms, 16 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue PHE33 as a ending terminus. 33: Start terminus THR-18: NH3+ 33: End terminus PHE-33: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 281 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/1 (142 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/2 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 22 acceptors were found. 33: There are 26 hydrogen bonds 33: Will use HISE for residue 45 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS45 33: NE295 33: MET46 SD102 1.078 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 261, now 261 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 676 pairs 33: Before cleaning: 696 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 696 dihedrals, 39 impropers, 472 angles 33: 667 pairs, 261 bonds and 0 virtual sites 33: Total mass 1861.130 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 33: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 132 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (132 atoms, 16 residues) 33: Identified residue ALA34 as a starting terminus. 33: Identified residue ALA49 as a ending terminus. 33: Start terminus ALA-34: NH3+ 33: End terminus ALA-49: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 255 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/2 (286 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/3 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 21 acceptors were found. 33: There are 30 hydrogen bonds 33: Will use HISE for residue 60 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS60 33: NE285 33: CYS62 SG98 0.803 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 232, now 232 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 603 pairs 33: Before cleaning: 618 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 618 dihedrals, 38 impropers, 419 angles 33: 597 pairs, 232 bonds and 0 virtual sites 33: Total mass 1662.885 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 33: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 117 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (117 atoms, 16 residues) 33: Identified residue LYS50 as a starting terminus. 33: Identified residue PRO65 as a ending terminus. 33: Start terminus LYS-50: NH3+ 33: End terminus PRO-65: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 228 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/3 (73 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/4 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 254, now 254 33: Marked 124 virtual sites 33: Added 16 dummy masses 33: Added 26 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 653 pairs 33: Before cleaning: 663 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 663 dihedrals, 48 impropers, 457 angles 33: 650 pairs, 254 bonds and 130 virtual sites 33: Total mass 1846.115 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 128 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (128 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 252 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/4 (125 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/5 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 30 donors and 22 acceptors were found. 33: There are 36 hydrogen bonds 33: Will use HISE for residue 29 33: Will use HISE for residue 32 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS27 HIS29 33: SG90 NE2111 33: HIS29 NE2111 0.987 33: HIS32 NE2135 1.590 1.155 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 290, now 290 33: Marked 132 virtual sites 33: Added 10 dummy masses 33: Added 19 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 748 pairs 33: Before cleaning: 778 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 778 dihedrals, 49 impropers, 516 angles 33: 736 pairs, 290 bonds and 133 virtual sites 33: Total mass 2088.361 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 33: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 149 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (149 atoms, 16 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue PHE33 as a ending terminus. 33: Start terminus THR-18: NH3+ 33: End terminus PHE-33: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 281 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/5 (97 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/6 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 22 acceptors were found. 33: There are 26 hydrogen bonds 33: Will use HISE for residue 45 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS45 33: NE295 33: MET46 SD102 1.078 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 261, now 261 33: Marked 123 virtual sites 33: Added 22 dummy masses 33: Added 35 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 676 pairs 33: Before cleaning: 696 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 696 dihedrals, 39 impropers, 472 angles 33: 667 pairs, 261 bonds and 132 virtual sites 33: Total mass 1861.130 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 33: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 132 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (132 atoms, 16 residues) 33: Identified residue ALA34 as a starting terminus. 33: Identified residue ALA49 as a ending terminus. 33: Start terminus ALA-34: NH3+ 33: End terminus ALA-49: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 255 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/6 (68 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/7 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 21 acceptors were found. 33: There are 30 hydrogen bonds 33: Will use HISE for residue 60 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS60 33: NE285 33: CYS62 SG98 0.803 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 232, now 232 33: Marked 111 virtual sites 33: Added 18 dummy masses 33: Added 31 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 603 pairs 33: Before cleaning: 618 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 618 dihedrals, 38 impropers, 419 angles 33: 597 pairs, 232 bonds and 116 virtual sites 33: Total mass 1662.885 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 33: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 117 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (117 atoms, 16 residues) 33: Identified residue LYS50 as a starting terminus. 33: Identified residue PRO65 as a ending terminus. 33: Start terminus LYS-50: NH3+ 33: End terminus PRO-65: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 228 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/7 (329 ms) 33: [----------] 8 tests from ForCharmm27/Pdb2gmxTest (1654 ms total) 33: 33: [----------] 8 tests from ChainSep/Pdb2gmxTest 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/0 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 258, now 258 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 651 pairs 33: Before cleaning: 661 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 10 cmap torsion pairs 33: There are 661 dihedrals, 46 impropers, 463 angles 33: 648 pairs, 258 bonds and 0 virtual sites 33: Total mass 1882.146 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on changing chain id only (ignoring TER records). 33: 33: Merged chains into joint molecule definitions at 2 places. 33: 33: There are 1 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 16 127 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (127 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue GLU5 as a ending terminus. 33: Identified residue PHE6 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus GLU-5: COO- 33: Start terminus PHE-6: NH3+ 33: End terminus MET-12: COO- 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 258 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/0 (118 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/1 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 50, now 50 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 123 pairs 33: Before cleaning: 123 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 2 cmap torsion pairs 33: There are 123 dihedrals, 9 impropers, 88 angles 33: 123 pairs, 50 bonds and 0 virtual sites 33: Total mass 434.421 a.m.u. 33: Total charge -2.000 e 33: Writing topology 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 10 donors and 7 acceptors were found. 33: There are 7 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS8 33: NE223 33: MET12 SD55 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 125, now 125 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 317 pairs 33: Before cleaning: 322 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 5 cmap torsion pairs 33: There are 322 dihedrals, 19 impropers, 227 angles 33: 314 pairs, 125 bonds and 0 virtual sites 33: Total mass 846.083 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 83, now 83 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 211 pairs 33: Before cleaning: 216 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 3 cmap torsion pairs 33: There are 216 dihedrals, 18 impropers, 148 angles 33: 211 pairs, 83 bonds and 0 virtual sites 33: Total mass 601.643 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: Now there are 258 atoms and 16 residues 33: Total mass in system 1882.146 a.m.u. 33: Total charge in system 0.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on changing chain id only (ignoring TER records). 33: There are 3 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 4 28 33: 2 'B' 7 58 33: 3 'C' 5 41 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (28 atoms, 4 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue GLU5 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus GLU-5: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 4 residues with 51 atoms 33: Chain time... 33: Processing chain 2 'B' (58 atoms, 7 residues) 33: Identified residue PHE6 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Start terminus PHE-6: NH3+ 33: End terminus MET-12: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 7 residues with 124 atoms 33: Chain time... 33: Processing chain 3 'C' (41 atoms, 5 residues) 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 5 residues with 83 atoms 33: Chain time... 33: Including chain 1 in system: 51 atoms 4 residues 33: Including chain 2 in system: 124 atoms 7 residues 33: Including chain 3 in system: 83 atoms 5 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/1 (87 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/2 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 258, now 258 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 651 pairs 33: Before cleaning: 661 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 10 cmap torsion pairs 33: There are 661 dihedrals, 46 impropers, 463 angles 33: 648 pairs, 258 bonds and 0 virtual sites 33: Total mass 1882.146 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records only (ignoring chain id). 33: 33: Merged chains into joint molecule definitions at 2 places. 33: 33: There are 1 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 16 127 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (127 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue ILE9 as a ending terminus. 33: Identified residue LYS10 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus ILE-9: COO- 33: Start terminus LYS-10: NH3+ 33: End terminus MET-12: COO- 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 258 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/2 (490 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/3 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 10 donors and 12 acceptors were found. 33: There are 13 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 33: SG9 33: HIS8 NE251 1.055 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 115, now 115 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 288 pairs 33: Before cleaning: 293 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 6 cmap torsion pairs 33: There are 293 dihedrals, 23 impropers, 203 angles 33: 285 pairs, 115 bonds and 0 virtual sites 33: Total mass 888.952 a.m.u. 33: Total charge -2.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 60, now 60 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 152 pairs 33: Before cleaning: 152 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 152 dihedrals, 5 impropers, 112 angles 33: 152 pairs, 60 bonds and 0 virtual sites 33: Total mass 391.552 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 83, now 83 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 211 pairs 33: Before cleaning: 216 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 3 cmap torsion pairs 33: There are 216 dihedrals, 18 impropers, 148 angles 33: 211 pairs, 83 bonds and 0 virtual sites 33: Total mass 601.643 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: Now there are 258 atoms and 16 residues 33: Total mass in system 1882.146 a.m.u. 33: Total charge in system 0.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records only (ignoring chain id). 33: There are 3 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 8 61 33: 2 'B' 3 25 33: 3 'C' 5 41 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (61 atoms, 8 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue ILE9 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus ILE-9: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 8 residues with 114 atoms 33: Chain time... 33: Processing chain 2 'B' (25 atoms, 3 residues) 33: Identified residue LYS10 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Start terminus LYS-10: NH3+ 33: End terminus MET-12: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 61 atoms 33: Chain time... 33: Processing chain 3 'C' (41 atoms, 5 residues) 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 5 residues with 83 atoms 33: Chain time... 33: Including chain 1 in system: 114 atoms 8 residues 33: Including chain 2 in system: 61 atoms 3 residues 33: Including chain 3 in system: 83 atoms 5 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/3 (105 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/4 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 260, now 260 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 650 pairs 33: Before cleaning: 660 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 8 cmap torsion pairs 33: There are 660 dihedrals, 45 impropers, 466 angles 33: 647 pairs, 260 bonds and 0 virtual sites 33: Total mass 1900.162 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: 33: Merged chains into joint molecule definitions at 3 places. 33: 33: There are 1 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 16 127 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (127 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue GLU5 as a ending terminus. 33: Identified residue PHE6 as a starting terminus. 33: Identified residue ILE9 as a ending terminus. 33: Identified residue LYS10 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus GLU-5: COO- 33: Start terminus PHE-6: NH3+ 33: End terminus ILE-9: COO- 33: Start terminus LYS-10: NH3+ 33: End terminus MET-12: COO- 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 261 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/4 (350 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/5 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 50, now 50 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 123 pairs 33: Before cleaning: 123 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 2 cmap torsion pairs 33: There are 123 dihedrals, 9 impropers, 88 angles 33: 123 pairs, 50 bonds and 0 virtual sites 33: Total mass 434.421 a.m.u. 33: Total charge -2.000 e 33: Writing topology 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 6 donors and 4 acceptors were found. 33: There are 3 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 67, now 67 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 164 pairs 33: Before cleaning: 169 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 2 cmap torsion pairs 33: There are 169 dihedrals, 13 impropers, 118 angles 33: 161 pairs, 67 bonds and 0 virtual sites 33: Total mass 472.547 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 60, now 60 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 152 pairs 33: Before cleaning: 152 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 152 dihedrals, 5 impropers, 112 angles 33: 152 pairs, 60 bonds and 0 virtual sites 33: Total mass 391.552 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 83, now 83 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 211 pairs 33: Before cleaning: 216 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 3 cmap torsion pairs 33: There are 216 dihedrals, 18 impropers, 148 angles 33: 211 pairs, 83 bonds and 0 virtual sites 33: Total mass 601.643 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: Now there are 261 atoms and 16 residues 33: Total mass in system 1900.162 a.m.u. 33: Total charge in system 0.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: WARNING: Chain identifier 'B' is used in two non-sequential blocks. 33: They will be treated as separate chains unless you reorder your file. 33: There are 4 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 4 28 33: 2 'B' 4 33 33: 3 'B' 3 25 33: 4 'C' 5 41 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (28 atoms, 4 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue GLU5 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus GLU-5: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 4 residues with 51 atoms 33: Chain time... 33: Processing chain 2 'B' (33 atoms, 4 residues) 33: Identified residue PHE6 as a starting terminus. 33: Identified residue ILE9 as a ending terminus. 33: Start terminus PHE-6: NH3+ 33: End terminus ILE-9: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 4 residues with 66 atoms 33: Chain time... 33: Processing chain 3 'B' (25 atoms, 3 residues) 33: Identified residue LYS10 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Start terminus LYS-10: NH3+ 33: End terminus MET-12: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 61 atoms 33: Chain time... 33: Processing chain 4 'C' (41 atoms, 5 residues) 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 5 residues with 83 atoms 33: Chain time... 33: Including chain 1 in system: 51 atoms 4 residues 33: Including chain 2 in system: 66 atoms 4 residues 33: Including chain 3 in system: 61 atoms 3 residues 33: Including chain 4 in system: 83 atoms 5 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/5 (454 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/6 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 256, now 256 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 652 pairs 33: Before cleaning: 662 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 12 cmap torsion pairs 33: There are 662 dihedrals, 47 impropers, 460 angles 33: 649 pairs, 256 bonds and 0 virtual sites 33: Total mass 1864.131 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records and chain id changing. 33: 33: Merged chains into joint molecule definitions at 1 places. 33: 33: There are 1 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 16 127 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (127 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus MET-12: COO- 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 255 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/6 (100 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/7 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 14 donors and 15 acceptors were found. 33: There are 20 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 173, now 173 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 441 pairs 33: Before cleaning: 446 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 9 cmap torsion pairs 33: There are 446 dihedrals, 29 impropers, 312 angles 33: 438 pairs, 173 bonds and 0 virtual sites 33: Total mass 1262.488 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 83, now 83 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 211 pairs 33: Before cleaning: 216 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 3 cmap torsion pairs 33: There are 216 dihedrals, 18 impropers, 148 angles 33: 211 pairs, 83 bonds and 0 virtual sites 33: Total mass 601.643 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: Now there are 255 atoms and 16 residues 33: Total mass in system 1864.131 a.m.u. 33: Total charge in system 0.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records and chain id changing. 33: There are 2 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 11 86 33: 2 'C' 5 41 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (86 atoms, 11 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus MET-12: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 11 residues with 172 atoms 33: Chain time... 33: Processing chain 2 'C' (41 atoms, 5 residues) 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 5 residues with 83 atoms 33: Chain time... 33: Including chain 1 in system: 172 atoms 11 residues 33: Including chain 2 in system: 83 atoms 5 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/7 (57 ms) 33: [----------] 8 tests from ChainSep/Pdb2gmxTest (1761 ms total) 33: 33: [----------] 4 tests from ChainChanges/Pdb2gmxTest 33: [ RUN ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/0 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 35, now 35 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 83 pairs 33: Before cleaning: 83 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 83 dihedrals, 6 impropers, 61 angles 33: 83 pairs, 35 bonds and 0 virtual sites 33: Total mass 306.314 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 58, now 58 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 145 pairs 33: Before cleaning: 150 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 150 dihedrals, 5 impropers, 103 angles 33: 142 pairs, 58 bonds and 0 virtual sites 33: Total mass 404.468 a.m.u. 33: Total charge -0.000 e 33: Writing topology 33: Now there are 93 atoms and 6 residues 33: Total mass in system 710.782 a.m.u. 33: Total charge in system -1.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb... 33: Read 'Fragments of peptides and ions', 47 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on changing chain id only (ignoring TER records). 33: There are 2 chains and 0 blocks of water and 6 residues with 47 atoms 33: 33: chain #res #atoms 33: 1 'A' 3 19 33: 2 'B' 3 28 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (19 atoms, 3 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue ASP4 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus ASP-4: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 36 atoms 33: Chain time... 33: Processing chain 2 'B' (28 atoms, 3 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue TRP20 as a ending terminus. 33: Start terminus THR-18: NH3+ 33: End terminus TRP-20: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 57 atoms 33: Chain time... 33: Including chain 1 in system: 36 atoms 3 residues 33: Including chain 2 in system: 57 atoms 3 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/0 (55 ms) 33: [ RUN ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/1 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 35, now 35 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 83 pairs 33: Before cleaning: 83 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 83 dihedrals, 6 impropers, 61 angles 33: 83 pairs, 35 bonds and 0 virtual sites 33: Total mass 306.314 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 58, now 58 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 145 pairs 33: Before cleaning: 150 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 150 dihedrals, 5 impropers, 103 angles 33: 142 pairs, 58 bonds and 0 virtual sites 33: Total mass 404.468 a.m.u. 33: Total charge -0.000 e 33: Writing topology 33: Now there are 93 atoms and 6 residues 33: Total mass in system 710.782 a.m.u. 33: Total charge in system -1.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb... 33: Read 'Fragments of peptides and ions', 47 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records only (ignoring chain id). 33: There are 2 chains and 0 blocks of water and 6 residues with 47 atoms 33: 33: chain #res #atoms 33: 1 'A' 3 19 33: 2 'B' 3 28 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (19 atoms, 3 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue ASP4 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus ASP-4: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 36 atoms 33: Chain time... 33: Processing chain 2 'B' (28 atoms, 3 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue TRP20 as a ending terminus. 33: Start terminus THR-18: NH3+ 33: End terminus TRP-20: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 57 atoms 33: Chain time... 33: Including chain 1 in system: 36 atoms 3 residues 33: Including chain 2 in system: 57 atoms 3 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/1 (63 ms) 33: [ RUN ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/2 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 35, now 35 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 83 pairs 33: Before cleaning: 83 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 83 dihedrals, 6 impropers, 61 angles 33: 83 pairs, 35 bonds and 0 virtual sites 33: Total mass 306.314 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 58, now 58 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 145 pairs 33: Before cleaning: 150 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 150 dihedrals, 5 impropers, 103 angles 33: 142 pairs, 58 bonds and 0 virtual sites 33: Total mass 404.468 a.m.u. 33: Total charge -0.000 e 33: Writing topology 33: Now there are 93 atoms and 6 residues 33: Total mass in system 710.782 a.m.u. 33: Total charge in system -1.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb... 33: Read 'Fragments of peptides and ions', 47 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 2 chains and 0 blocks of water and 6 residues with 47 atoms 33: 33: chain #res #atoms 33: 1 'A' 3 19 33: 2 'B' 3 28 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (19 atoms, 3 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue ASP4 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus ASP-4: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 36 atoms 33: Chain time... 33: Processing chain 2 'B' (28 atoms, 3 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue TRP20 as a ending terminus. 33: Start terminus THR-18: NH3+ 33: End terminus TRP-20: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 57 atoms 33: Chain time... 33: Including chain 1 in system: 36 atoms 3 residues 33: Including chain 2 in system: 57 atoms 3 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/2 (64 ms) 33: [ RUN ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/3 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 35, now 35 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 83 pairs 33: Before cleaning: 83 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 83 dihedrals, 6 impropers, 61 angles 33: 83 pairs, 35 bonds and 0 virtual sites 33: Total mass 306.314 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 58, now 58 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 145 pairs 33: Before cleaning: 150 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 150 dihedrals, 5 impropers, 103 angles 33: 142 pairs, 58 bonds and 0 virtual sites 33: Total mass 404.468 a.m.u. 33: Total charge -0.000 e 33: Writing topology 33: Now there are 93 atoms and 6 residues 33: Total mass in system 710.782 a.m.u. 33: Total charge in system -1.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb... 33: Read 'Fragments of peptides and ions', 47 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records and chain id changing. 33: There are 2 chains and 0 blocks of water and 6 residues with 47 atoms 33: 33: chain #res #atoms 33: 1 'A' 3 19 33: 2 'B' 3 28 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (19 atoms, 3 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue ASP4 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus ASP-4: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 36 atoms 33: Chain time... 33: Processing chain 2 'B' (28 atoms, 3 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue TRP20 as a ending terminus. 33: Start terminus THR-18: NH3+ 33: End terminus TRP-20: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 57 atoms 33: Chain time... 33: Including chain 1 in system: 36 atoms 3 residues 33: Including chain 2 in system: 57 atoms 3 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/3 (255 ms) 33: [----------] 4 tests from ChainChanges/Pdb2gmxTest (437 ms total) 33: 33: [----------] Global test environment tear-down 33: [==========] 28 tests from 4 test cases ran. (7097 ms total) 33: [ PASSED ] 28 tests. 33/54 Test #33: Pdb2gmx3Test ........................ Passed 7.15 sec test 34 Start 34: CorrelationsTest 34: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/correlations-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/CorrelationsTest.xml" 34: Test timeout computed to be: 30 34: [==========] Running 21 tests from 3 test cases. 34: [----------] Global test environment set-up. 34: [----------] 10 tests from AutocorrTest 34: [ RUN ] AutocorrTest.EacNormal 34: [ OK ] AutocorrTest.EacNormal (295 ms) 34: [ RUN ] AutocorrTest.EacNoNormalize 34: [ OK ] AutocorrTest.EacNoNormalize (292 ms) 34: [ RUN ] AutocorrTest.EacCos 34: [ OK ] AutocorrTest.EacCos (600 ms) 34: [ RUN ] AutocorrTest.EacVector 34: [ OK ] AutocorrTest.EacVector (611 ms) 34: [ RUN ] AutocorrTest.EacRcross 34: [ OK ] AutocorrTest.EacRcross (1184 ms) 34: [ RUN ] AutocorrTest.EacP0 34: [ OK ] AutocorrTest.EacP0 (807 ms) 34: [ RUN ] AutocorrTest.EacP1 34: [ OK ] AutocorrTest.EacP1 (792 ms) 34: [ RUN ] AutocorrTest.EacP2 34: [ OK ] AutocorrTest.EacP2 (1505 ms) 34: [ RUN ] AutocorrTest.EacP3 34: [ OK ] AutocorrTest.EacP3 (100 ms) 34: [ RUN ] AutocorrTest.EacP4 34: [ OK ] AutocorrTest.EacP4 (794 ms) 34: [----------] 10 tests from AutocorrTest (6981 ms total) 34: 34: [----------] 1 test from ManyAutocorrelationTest 34: [ RUN ] ManyAutocorrelationTest.Empty 34: [ OK ] ManyAutocorrelationTest.Empty (0 ms) 34: [----------] 1 test from ManyAutocorrelationTest (0 ms total) 34: 34: [----------] 10 tests from ExpfitTest 34: [ RUN ] ExpfitTest.EffnEXP1 34: [ OK ] ExpfitTest.EffnEXP1 (7 ms) 34: [ RUN ] ExpfitTest.EffnEXP2 34: [ OK ] ExpfitTest.EffnEXP2 (4 ms) 34: [ RUN ] ExpfitTest.EffnEXPEXP 34: [ OK ] ExpfitTest.EffnEXPEXP (1 ms) 34: [ RUN ] ExpfitTest.EffnEXP5 34: [ OK ] ExpfitTest.EffnEXP5 (5 ms) 34: [ RUN ] ExpfitTest.EffnEXP7 34: [ OK ] ExpfitTest.EffnEXP7 (4 ms) 34: [ RUN ] ExpfitTest.EffnEXP9 34: [ OK ] ExpfitTest.EffnEXP9 (60 ms) 34: [ RUN ] ExpfitTest.EffnERF 34: [ OK ] ExpfitTest.EffnERF (2 ms) 34: [ RUN ] ExpfitTest.EffnERREST 34: [ OK ] ExpfitTest.EffnERREST (4 ms) 34: [ RUN ] ExpfitTest.EffnVAC 34: [ OK ] ExpfitTest.EffnVAC (15 ms) 34: [ RUN ] ExpfitTest.EffnPRES 34: [ OK ] ExpfitTest.EffnPRES (20 ms) 34: [----------] 10 tests from ExpfitTest (122 ms total) 34: 34: [----------] Global test environment tear-down 34: [==========] 21 tests from 3 test cases ran. (7275 ms total) 34: [ PASSED ] 21 tests. 34/54 Test #34: CorrelationsTest .................... Passed 7.52 sec test 35 Start 35: AnalysisDataUnitTests 35: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/analysisdata-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/AnalysisDataUnitTests.xml" 35: Test timeout computed to be: 30 35: [==========] Running 69 tests from 14 test cases. 35: [----------] Global test environment set-up. 35: [----------] 3 tests from AnalysisDataInitializationTest 35: [ RUN ] AnalysisDataInitializationTest.BasicInitialization 35: [ OK ] AnalysisDataInitializationTest.BasicInitialization (0 ms) 35: [ RUN ] AnalysisDataInitializationTest.ChecksMultiColumnModules 35: [ OK ] AnalysisDataInitializationTest.ChecksMultiColumnModules (1 ms) 35: [ RUN ] AnalysisDataInitializationTest.ChecksMultipointModules 35: [ OK ] AnalysisDataInitializationTest.ChecksMultipointModules (0 ms) 35: [----------] 3 tests from AnalysisDataInitializationTest (1 ms total) 35: 35: [----------] 8 tests from AnalysisDataCommonTest/0, where TypeParam = (anonymous namespace)::SimpleInputData 35: [ RUN ] AnalysisDataCommonTest/0.CallsModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/0.CallsModuleCorrectly (10 ms) 35: [ RUN ] AnalysisDataCommonTest/0.CallsParallelModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/0.CallsParallelModuleCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/0.CallsMixedModulesCorrectly 35: [ OK ] AnalysisDataCommonTest/0.CallsMixedModulesCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/0.CallsColumnModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/0.CallsColumnModuleCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/0.CallsModuleCorrectlyWithOutOfOrderFrames 35: [ OK ] AnalysisDataCommonTest/0.CallsModuleCorrectlyWithOutOfOrderFrames (0 ms) 35: [ RUN ] AnalysisDataCommonTest/0.FullStorageWorks 35: [ OK ] AnalysisDataCommonTest/0.FullStorageWorks (0 ms) 35: [ RUN ] AnalysisDataCommonTest/0.CanAddModuleAfterStoredData 35: [ OK ] AnalysisDataCommonTest/0.CanAddModuleAfterStoredData (1 ms) 35: [ RUN ] AnalysisDataCommonTest/0.LimitedStorageWorks 35: [ OK ] AnalysisDataCommonTest/0.LimitedStorageWorks (0 ms) 35: [----------] 8 tests from AnalysisDataCommonTest/0 (13 ms total) 35: 35: [----------] 8 tests from AnalysisDataCommonTest/1, where TypeParam = (anonymous namespace)::DataSetsInputData 35: [ RUN ] AnalysisDataCommonTest/1.CallsModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/1.CallsModuleCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/1.CallsParallelModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/1.CallsParallelModuleCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/1.CallsMixedModulesCorrectly 35: [ OK ] AnalysisDataCommonTest/1.CallsMixedModulesCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/1.CallsColumnModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/1.CallsColumnModuleCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/1.CallsModuleCorrectlyWithOutOfOrderFrames 35: [ OK ] AnalysisDataCommonTest/1.CallsModuleCorrectlyWithOutOfOrderFrames (0 ms) 35: [ RUN ] AnalysisDataCommonTest/1.FullStorageWorks 35: [ OK ] AnalysisDataCommonTest/1.FullStorageWorks (0 ms) 35: [ RUN ] AnalysisDataCommonTest/1.CanAddModuleAfterStoredData 35: [ OK ] AnalysisDataCommonTest/1.CanAddModuleAfterStoredData (1 ms) 35: [ RUN ] AnalysisDataCommonTest/1.LimitedStorageWorks 35: [ OK ] AnalysisDataCommonTest/1.LimitedStorageWorks (0 ms) 35: [----------] 8 tests from AnalysisDataCommonTest/1 (3 ms total) 35: 35: [----------] 8 tests from AnalysisDataCommonTest/2, where TypeParam = (anonymous namespace)::MultipointInputData 35: [ RUN ] AnalysisDataCommonTest/2.CallsModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/2.CallsModuleCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/2.CallsParallelModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/2.CallsParallelModuleCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/2.CallsMixedModulesCorrectly 35: [ OK ] AnalysisDataCommonTest/2.CallsMixedModulesCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/2.CallsColumnModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/2.CallsColumnModuleCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/2.CallsModuleCorrectlyWithOutOfOrderFrames 35: [ OK ] AnalysisDataCommonTest/2.CallsModuleCorrectlyWithOutOfOrderFrames (1 ms) 35: [ RUN ] AnalysisDataCommonTest/2.FullStorageWorks 35: [ OK ] AnalysisDataCommonTest/2.FullStorageWorks (0 ms) 35: [ RUN ] AnalysisDataCommonTest/2.CanAddModuleAfterStoredData 35: [ OK ] AnalysisDataCommonTest/2.CanAddModuleAfterStoredData (1 ms) 35: [ RUN ] AnalysisDataCommonTest/2.LimitedStorageWorks 35: [ OK ] AnalysisDataCommonTest/2.LimitedStorageWorks (0 ms) 35: [----------] 8 tests from AnalysisDataCommonTest/2 (4 ms total) 35: 35: [----------] 8 tests from AnalysisDataCommonTest/3, where TypeParam = (anonymous namespace)::MultipointDataSetsInputData 35: [ RUN ] AnalysisDataCommonTest/3.CallsModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/3.CallsModuleCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/3.CallsParallelModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/3.CallsParallelModuleCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/3.CallsMixedModulesCorrectly 35: [ OK ] AnalysisDataCommonTest/3.CallsMixedModulesCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/3.CallsColumnModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/3.CallsColumnModuleCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/3.CallsModuleCorrectlyWithOutOfOrderFrames 35: [ OK ] AnalysisDataCommonTest/3.CallsModuleCorrectlyWithOutOfOrderFrames (1 ms) 35: [ RUN ] AnalysisDataCommonTest/3.FullStorageWorks 35: [ OK ] AnalysisDataCommonTest/3.FullStorageWorks (0 ms) 35: [ RUN ] AnalysisDataCommonTest/3.CanAddModuleAfterStoredData 35: [ OK ] AnalysisDataCommonTest/3.CanAddModuleAfterStoredData (0 ms) 35: [ RUN ] AnalysisDataCommonTest/3.LimitedStorageWorks 35: [ OK ] AnalysisDataCommonTest/3.LimitedStorageWorks (1 ms) 35: [----------] 8 tests from AnalysisDataCommonTest/3 (4 ms total) 35: 35: [----------] 4 tests from AnalysisArrayDataTest 35: [ RUN ] AnalysisArrayDataTest.CallsModuleCorrectly 35: [ OK ] AnalysisArrayDataTest.CallsModuleCorrectly (0 ms) 35: [ RUN ] AnalysisArrayDataTest.StorageWorks 35: [ OK ] AnalysisArrayDataTest.StorageWorks (0 ms) 35: [ RUN ] AnalysisArrayDataTest.CanSetXAxis 35: [ OK ] AnalysisArrayDataTest.CanSetXAxis (0 ms) 35: [ RUN ] AnalysisArrayDataTest.CanSetXAxisBeforeRowCount 35: [ OK ] AnalysisArrayDataTest.CanSetXAxisBeforeRowCount (0 ms) 35: [----------] 4 tests from AnalysisArrayDataTest (0 ms total) 35: 35: [----------] 6 tests from AverageModuleTest 35: [ RUN ] AverageModuleTest.BasicTest 35: [ OK ] AverageModuleTest.BasicTest (462 ms) 35: [ RUN ] AverageModuleTest.HandlesMultipointData 35: [ OK ] AverageModuleTest.HandlesMultipointData (6 ms) 35: [ RUN ] AverageModuleTest.HandlesMultipleDataSets 35: [ OK ] AverageModuleTest.HandlesMultipleDataSets (15 ms) 35: [ RUN ] AverageModuleTest.HandlesDataSetAveraging 35: [ OK ] AverageModuleTest.HandlesDataSetAveraging (9 ms) 35: [ RUN ] AverageModuleTest.CanCustomizeXAxis 35: [ OK ] AverageModuleTest.CanCustomizeXAxis (6 ms) 35: [ RUN ] AverageModuleTest.CanCustomizeNonUniformXAxis 35: [ OK ] AverageModuleTest.CanCustomizeNonUniformXAxis (10 ms) 35: [----------] 6 tests from AverageModuleTest (508 ms total) 35: 35: [----------] 2 tests from FrameAverageModuleTest 35: [ RUN ] FrameAverageModuleTest.BasicTest 35: [ OK ] FrameAverageModuleTest.BasicTest (7 ms) 35: [ RUN ] FrameAverageModuleTest.HandlesMultipleDataSets 35: [ OK ] FrameAverageModuleTest.HandlesMultipleDataSets (8 ms) 35: [----------] 2 tests from FrameAverageModuleTest (15 ms total) 35: 35: [----------] 7 tests from AnalysisHistogramSettingsTest 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromBins 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromBins (0 ms) 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromBinsWithIntegerBins 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromBinsWithIntegerBins (0 ms) 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinCount 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinCount (0 ms) 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinWidth 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinWidth (0 ms) 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinCountAndIntegerBins 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinCountAndIntegerBins (0 ms) 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinWidthAndIntegerBins 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinWidthAndIntegerBins (0 ms) 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromRangeWithRoundedRange 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromRangeWithRoundedRange (0 ms) 35: [----------] 7 tests from AnalysisHistogramSettingsTest (0 ms total) 35: 35: [----------] 2 tests from SimpleHistogramModuleTest 35: [ RUN ] SimpleHistogramModuleTest.ComputesCorrectly 35: [ OK ] SimpleHistogramModuleTest.ComputesCorrectly (4 ms) 35: [ RUN ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll 35: [ OK ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll (13 ms) 35: [----------] 2 tests from SimpleHistogramModuleTest (17 ms total) 35: 35: [----------] 3 tests from WeightedHistogramModuleTest 35: [ RUN ] WeightedHistogramModuleTest.ComputesCorrectly 35: [ OK ] WeightedHistogramModuleTest.ComputesCorrectly (8 ms) 35: [ RUN ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll 35: [ OK ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll (3 ms) 35: [ RUN ] WeightedHistogramModuleTest.HandlesMultipleDataSets 35: [ OK ] WeightedHistogramModuleTest.HandlesMultipleDataSets (8 ms) 35: [----------] 3 tests from WeightedHistogramModuleTest (19 ms total) 35: 35: [----------] 3 tests from BinAverageModuleTest 35: [ RUN ] BinAverageModuleTest.ComputesCorrectly 35: [ OK ] BinAverageModuleTest.ComputesCorrectly (8 ms) 35: [ RUN ] BinAverageModuleTest.ComputesCorrectlyWithAll 35: [ OK ] BinAverageModuleTest.ComputesCorrectlyWithAll (91 ms) 35: [ RUN ] BinAverageModuleTest.HandlesMultipleDataSets 35: [ OK ] BinAverageModuleTest.HandlesMultipleDataSets (8 ms) 35: [----------] 3 tests from BinAverageModuleTest (108 ms total) 35: 35: [----------] 4 tests from AbstractAverageHistogramTest 35: [ RUN ] AbstractAverageHistogramTest.ClonesCorrectly 35: [ OK ] AbstractAverageHistogramTest.ClonesCorrectly (1 ms) 35: [ RUN ] AbstractAverageHistogramTest.ComputesCumulativeHistogram 35: [ OK ] AbstractAverageHistogramTest.ComputesCumulativeHistogram (2 ms) 35: [ RUN ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth 35: [ OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth (4 ms) 35: [ RUN ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins 35: [ OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins (1 ms) 35: [----------] 4 tests from AbstractAverageHistogramTest (8 ms total) 35: 35: [----------] 3 tests from LifetimeModuleTest 35: [ RUN ] LifetimeModuleTest.BasicTest 35: [ OK ] LifetimeModuleTest.BasicTest (1 ms) 35: [ RUN ] LifetimeModuleTest.CumulativeTest 35: [ OK ] LifetimeModuleTest.CumulativeTest (1 ms) 35: [ RUN ] LifetimeModuleTest.HandlesMultipleDataSets 35: [ OK ] LifetimeModuleTest.HandlesMultipleDataSets (1 ms) 35: [----------] 3 tests from LifetimeModuleTest (3 ms total) 35: 35: [----------] Global test environment tear-down 35: [==========] 69 tests from 14 test cases ran. (703 ms total) 35: [ PASSED ] 69 tests. 35/54 Test #35: AnalysisDataUnitTests ............... Passed 0.72 sec test 36 Start 36: CoordinateIOTests 36: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/coordinateio-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/CoordinateIOTests.xml" 36: Test timeout computed to be: 30 36: [==========] Running 64 tests from 19 test cases. 36: [----------] Global test environment set-up. 36: [----------] 1 test from OutputSelectorDeathTest 36: [ RUN ] OutputSelectorDeathTest.RejectsBadSelection 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] OutputSelectorDeathTest.RejectsBadSelection (35 ms) 36: [----------] 1 test from OutputSelectorDeathTest (35 ms total) 36: 36: [----------] 5 tests from TrajectoryFrameWriterTest 36: [ RUN ] TrajectoryFrameWriterTest.RejectsWrongFiletype 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] TrajectoryFrameWriterTest.RejectsWrongFiletype (3 ms) 36: [ RUN ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms (2 ms) 36: [ RUN ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms (3 ms) 36: [ RUN ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms (10 ms) 36: [ RUN ] TrajectoryFrameWriterTest.TNGOutputWorks 36: [ OK ] TrajectoryFrameWriterTest.TNGOutputWorks (0 ms) 36: [----------] 5 tests from TrajectoryFrameWriterTest (18 ms total) 36: 36: [----------] 5 tests from OutputAdapterContainer 36: [ RUN ] OutputAdapterContainer.MakeEmpty 36: [ OK ] OutputAdapterContainer.MakeEmpty (0 ms) 36: [ RUN ] OutputAdapterContainer.AddAdapter 36: [ OK ] OutputAdapterContainer.AddAdapter (0 ms) 36: [ RUN ] OutputAdapterContainer.RejectBadAdapter 36: [ OK ] OutputAdapterContainer.RejectBadAdapter (0 ms) 36: [ RUN ] OutputAdapterContainer.RejectDuplicateAdapter 36: [ OK ] OutputAdapterContainer.RejectDuplicateAdapter (0 ms) 36: [ RUN ] OutputAdapterContainer.AcceptMultipleAdapters 36: [ OK ] OutputAdapterContainer.AcceptMultipleAdapters (0 ms) 36: [----------] 5 tests from OutputAdapterContainer (0 ms total) 36: 36: [----------] 5 tests from FlagTest 36: [ RUN ] FlagTest.CanSetSimpleFlag 36: [ OK ] FlagTest.CanSetSimpleFlag (0 ms) 36: [ RUN ] FlagTest.CanAddNewBox 36: [ OK ] FlagTest.CanAddNewBox (1 ms) 36: [ RUN ] FlagTest.SetsImplicitPrecisionChange 36: [ OK ] FlagTest.SetsImplicitPrecisionChange (0 ms) 36: [ RUN ] FlagTest.SetsImplicitStartTimeChange 36: [ OK ] FlagTest.SetsImplicitStartTimeChange (0 ms) 36: [ RUN ] FlagTest.SetsImplicitTimeStepChange 36: [ OK ] FlagTest.SetsImplicitTimeStepChange (0 ms) 36: [----------] 5 tests from FlagTest (1 ms total) 36: 36: [----------] 5 tests from SetAtomsTest 36: [ RUN ] SetAtomsTest.RemovesExistingAtoms 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] SetAtomsTest.RemovesExistingAtoms (4 ms) 36: [ RUN ] SetAtomsTest.AddsNewAtoms 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] SetAtomsTest.AddsNewAtoms (4 ms) 36: [ RUN ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable (5 ms) 36: [ RUN ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable (5 ms) 36: [ RUN ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible (4 ms) 36: [----------] 5 tests from SetAtomsTest (22 ms total) 36: 36: [----------] 2 tests from SetBothTimeTest 36: [ RUN ] SetBothTimeTest.StartTimeZeroWorks 36: [ OK ] SetBothTimeTest.StartTimeZeroWorks (0 ms) 36: [ RUN ] SetBothTimeTest.SetStartTimeNonZeroWorks 36: [ OK ] SetBothTimeTest.SetStartTimeNonZeroWorks (0 ms) 36: [----------] 2 tests from SetBothTimeTest (0 ms total) 36: 36: [----------] 2 tests from SetStartTimeTest 36: [ RUN ] SetStartTimeTest.WorksWithNonZeroStart 36: [ OK ] SetStartTimeTest.WorksWithNonZeroStart (0 ms) 36: [ RUN ] SetStartTimeTest.WorksWithZeroStart 36: [ OK ] SetStartTimeTest.WorksWithZeroStart (0 ms) 36: [----------] 2 tests from SetStartTimeTest (0 ms total) 36: 36: [----------] 1 test from SetTimeStepTest 36: [ RUN ] SetTimeStepTest.SetTimeStepWorks 36: [ OK ] SetTimeStepTest.SetTimeStepWorks (0 ms) 36: [----------] 1 test from SetTimeStepTest (0 ms total) 36: 36: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest 36: [ RUN ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/0 (5 ms) 36: [ RUN ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1 (4 ms) 36: [ RUN ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2 (3 ms) 36: [ RUN ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 (3 ms) 36: [ RUN ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4 (3 ms) 36: [ RUN ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5 (3 ms) 36: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest (21 ms total) 36: 36: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles 36: [ RUN ] ModuleSupported/SetAtomsSupportedFiles.Works/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetAtomsSupportedFiles.Works/0 (3 ms) 36: [ RUN ] ModuleSupported/SetAtomsSupportedFiles.Works/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetAtomsSupportedFiles.Works/1 (3 ms) 36: [ RUN ] ModuleSupported/SetAtomsSupportedFiles.Works/2 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetAtomsSupportedFiles.Works/2 (2 ms) 36: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles (10 ms total) 36: 36: [----------] 3 tests from ModuleUnSupported/SetAtomsUnSupportedFiles 36: [ RUN ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/0 36: [ OK ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/0 (0 ms) 36: [ RUN ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/1 36: [ OK ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/1 (0 ms) 36: [ RUN ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/2 36: [ OK ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/2 (0 ms) 36: [----------] 3 tests from ModuleUnSupported/SetAtomsUnSupportedFiles (0 ms total) 36: 36: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles 36: [ RUN ] ModuleSupported/AnyOutputSupportedFiles.Works/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/AnyOutputSupportedFiles.Works/0 (6 ms) 36: [ RUN ] ModuleSupported/AnyOutputSupportedFiles.Works/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/AnyOutputSupportedFiles.Works/1 (6 ms) 36: [ RUN ] ModuleSupported/AnyOutputSupportedFiles.Works/2 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/AnyOutputSupportedFiles.Works/2 (6 ms) 36: [ RUN ] ModuleSupported/AnyOutputSupportedFiles.Works/3 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/AnyOutputSupportedFiles.Works/3 (24 ms) 36: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles (42 ms total) 36: 36: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles 36: [ RUN ] ModuleSupported/SetVelocitySupportedFiles.Works/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetVelocitySupportedFiles.Works/0 (4 ms) 36: [ RUN ] ModuleSupported/SetVelocitySupportedFiles.Works/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetVelocitySupportedFiles.Works/1 (4 ms) 36: [ RUN ] ModuleSupported/SetVelocitySupportedFiles.Works/2 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetVelocitySupportedFiles.Works/2 (3 ms) 36: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles (11 ms total) 36: 36: [----------] 3 tests from ModuleUnSupported/SetVelocityUnSupportedFiles 36: [ RUN ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/0 36: [ OK ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/0 (0 ms) 36: [ RUN ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/1 36: [ OK ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/1 (0 ms) 36: [ RUN ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/2 36: [ OK ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/2 (0 ms) 36: [----------] 3 tests from ModuleUnSupported/SetVelocityUnSupportedFiles (0 ms total) 36: 36: [----------] 2 tests from ModuleSupported/SetForceSupportedFiles 36: [ RUN ] ModuleSupported/SetForceSupportedFiles.Works/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetForceSupportedFiles.Works/0 (3 ms) 36: [ RUN ] ModuleSupported/SetForceSupportedFiles.Works/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetForceSupportedFiles.Works/1 (3 ms) 36: [----------] 2 tests from ModuleSupported/SetForceSupportedFiles (6 ms total) 36: 36: [----------] 4 tests from ModuleUnSupported/SetForceUnSupportedFiles 36: [ RUN ] ModuleUnSupported/SetForceUnSupportedFiles.Works/0 36: [ OK ] ModuleUnSupported/SetForceUnSupportedFiles.Works/0 (0 ms) 36: [ RUN ] ModuleUnSupported/SetForceUnSupportedFiles.Works/1 36: [ OK ] ModuleUnSupported/SetForceUnSupportedFiles.Works/1 (0 ms) 36: [ RUN ] ModuleUnSupported/SetForceUnSupportedFiles.Works/2 36: [ OK ] ModuleUnSupported/SetForceUnSupportedFiles.Works/2 (0 ms) 36: [ RUN ] ModuleUnSupported/SetForceUnSupportedFiles.Works/3 36: [ OK ] ModuleUnSupported/SetForceUnSupportedFiles.Works/3 (0 ms) 36: [----------] 4 tests from ModuleUnSupported/SetForceUnSupportedFiles (0 ms total) 36: 36: [----------] 2 tests from ModuleSupported/SetPrecisionSupportedFiles 36: [ RUN ] ModuleSupported/SetPrecisionSupportedFiles.Works/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/0 (4 ms) 36: [ RUN ] ModuleSupported/SetPrecisionSupportedFiles.Works/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/1 (5 ms) 36: [----------] 2 tests from ModuleSupported/SetPrecisionSupportedFiles (9 ms total) 36: 36: [----------] 4 tests from ModuleUnSupported/SetPrecisionUnSupportedFiles 36: [ RUN ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/0 36: [ OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/0 (0 ms) 36: [ RUN ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/1 36: [ OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/1 (0 ms) 36: [ RUN ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/2 36: [ OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/2 (0 ms) 36: [ RUN ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/3 36: [ OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/3 (0 ms) 36: [----------] 4 tests from ModuleUnSupported/SetPrecisionUnSupportedFiles (0 ms total) 36: 36: [----------] 4 tests from ModuleSupported/NoOptionalOutput 36: [ RUN ] ModuleSupported/NoOptionalOutput.Works/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/NoOptionalOutput.Works/0 (3 ms) 36: [ RUN ] ModuleSupported/NoOptionalOutput.Works/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/NoOptionalOutput.Works/1 (3 ms) 36: [ RUN ] ModuleSupported/NoOptionalOutput.Works/2 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/NoOptionalOutput.Works/2 (2 ms) 36: [ RUN ] ModuleSupported/NoOptionalOutput.Works/3 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/NoOptionalOutput.Works/3 (3 ms) 36: [----------] 4 tests from ModuleSupported/NoOptionalOutput (13 ms total) 36: 36: [----------] Global test environment tear-down 36: [==========] 64 tests from 19 test cases ran. (188 ms total) 36: [ PASSED ] 64 tests. 36/54 Test #36: CoordinateIOTests ................... Passed 0.22 sec test 37 Start 37: TrajectoryAnalysisUnitTests 37: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/trajectoryanalysis-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/TrajectoryAnalysisUnitTests.xml" 37: Test timeout computed to be: 30 37: [==========] Running 82 tests from 16 test cases. 37: [----------] Global test environment set-up. 37: [----------] 5 tests from ClustsizeTest 37: [ RUN ] ClustsizeTest.NoMolDefaultCutoff 37: Reading frames from pdb file Reading frame 0 time 0.000 Group 0 ( SOL) has 24 elements 37: There is one group in the index 37: '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Total number of atoms in clusters = 24 37: cmid: 2, cmax: 4, max_size: 6 37: 16% 33% 50% 66% 83%100%cmid: 6, cmax: 18, max_size: 6 37: 16% 33% 50% 66% 83%100%[ OK ] ClustsizeTest.NoMolDefaultCutoff (258 ms) 37: [ RUN ] ClustsizeTest.NoMolShortCutoff 37: Reading frames from pdb file Reading frame 0 time 0.000 Group 0 ( SOL) has 24 elements 37: There is one group in the index 37: '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Total number of atoms in clusters = 24 37: cmid: 1, cmax: 6, max_size: 6 37: 16% 33% 50% 66% 83%100%cmid: 6, cmax: 18, max_size: 6 37: 16% 33% 50% 66% 83%100%[ OK ] ClustsizeTest.NoMolShortCutoff (9 ms) 37: [ RUN ] ClustsizeTest.MolDefaultCutoff 37: Reading frames from pdb file Reading frame 0 time 0.000 Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Total number of atoms in clusters = 8 37: cmid: 2, cmax: 4, max_size: 2 37: 50%100%cmid: 2, cmax: 6, max_size: 2 37: 50%100%[ OK ] ClustsizeTest.MolDefaultCutoff (13 ms) 37: [ RUN ] ClustsizeTest.MolShortCutoff 37: Reading frames from pdb file Reading frame 0 time 0.000 Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Total number of atoms in clusters = 8 37: cmid: 1, cmax: 6, max_size: 2 37: 50%100%cmid: 2, cmax: 6, max_size: 2 37: 50%100%[ OK ] ClustsizeTest.MolShortCutoff (27 ms) 37: [ RUN ] ClustsizeTest.MolCSize 37: Reading frames from pdb file Reading frame 0 time 0.000 Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Total number of atoms in clusters = 8 37: cmid: 2, cmax: 4, max_size: 2 37: 50%100%cmid: 2, cmax: 6, max_size: 2 37: 50%100%[ OK ] ClustsizeTest.MolCSize (9 ms) 37: [----------] 5 tests from ClustsizeTest (316 ms total) 37: 37: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest 37: [ RUN ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp 37: [ OK ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp (1 ms) 37: [ RUN ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory 37: Reading frames from gro file 'Test system', 8 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory (82 ms) 37: [ RUN ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset 37: Reading frames from gro file 'Test system', 8 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset (4 ms) 37: [ RUN ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory 37: [ OK ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory (0 ms) 37: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest (87 ms total) 37: 37: [----------] 11 tests from AngleModuleTest 37: [ RUN ] AngleModuleTest.ComputesSimpleAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesSimpleAngles (17 ms) 37: [ RUN ] AngleModuleTest.ComputesDihedrals 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesDihedrals (13 ms) 37: [ RUN ] AngleModuleTest.ComputesVectorPairAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesVectorPairAngles (12 ms) 37: [ RUN ] AngleModuleTest.ComputesVectorPlanePairAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesVectorPlanePairAngles (70 ms) 37: [ RUN ] AngleModuleTest.ComputesPlaneZAxisAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesPlaneZAxisAngles (132 ms) 37: [ RUN ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles (99 ms) 37: [ RUN ] AngleModuleTest.ComputesVectorTimeZeroAngles 37: Reading frames from gro file 'Test system for different angles', 33 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesVectorTimeZeroAngles (101 ms) 37: [ RUN ] AngleModuleTest.ComputesMultipleAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesMultipleAngles (100 ms) 37: [ RUN ] AngleModuleTest.HandlesDynamicSelections 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.HandlesDynamicSelections (23 ms) 37: [ RUN ] AngleModuleTest.HandlesOneVsMultipleVectorAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.HandlesOneVsMultipleVectorAngles (11 ms) 37: [ RUN ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles (12 ms) 37: [----------] 11 tests from AngleModuleTest (591 ms total) 37: 37: [----------] 4 tests from ConvertTrjModuleTest 37: [ RUN ] ConvertTrjModuleTest.WritesNormalOutput 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: Reading frame 0 time 0.000 Last frame 0 time 0.000 37: Analyzed 1 frames, last time 0.000 37: [ OK ] ConvertTrjModuleTest.WritesNormalOutput (150 ms) 37: [ RUN ] ConvertTrjModuleTest.WritesAtomSubset 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: Reading frame 0 time 0.000 Last frame 0 time 0.000 37: Analyzed 1 frames, last time 0.000 37: [ OK ] ConvertTrjModuleTest.WritesAtomSubset (19 ms) 37: [ RUN ] ConvertTrjModuleTest.WorksWithAtomAdding 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading frames from pdb file Reading frame 0 time 0.000 '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: [ OK ] ConvertTrjModuleTest.WorksWithAtomAdding (8 ms) 37: [ RUN ] ConvertTrjModuleTest.WorksWithAtomsAndSelection 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading frames from pdb file Reading frame 0 time 0.000 '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: [ OK ] ConvertTrjModuleTest.WorksWithAtomsAndSelection (5 ms) 37: [----------] 4 tests from ConvertTrjModuleTest (183 ms total) 37: 37: [----------] 3 tests from DistanceModuleTest 37: [ RUN ] DistanceModuleTest.ComputesDistances 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: atomname S1 S2: 37: Number of samples: 5 37: Average distance: 1.43246 nm 37: Standard deviation: 0.96700 nm 37: [ OK ] DistanceModuleTest.ComputesDistances (8 ms) 37: [ RUN ] DistanceModuleTest.ComputesMultipleDistances 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: atomname S1 S2: 37: Number of samples: 5 37: Average distance: 1.43246 nm 37: Standard deviation: 0.96700 nm 37: resindex 1 to 4 and atomname CB merge resindex 2 to 5 and atomname CB: 37: Number of samples: 4 37: Average distance: 1.81066 nm 37: Standard deviation: 0.79289 nm 37: [ OK ] DistanceModuleTest.ComputesMultipleDistances (72 ms) 37: [ RUN ] DistanceModuleTest.HandlesDynamicSelections 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: atomname S1 S2 and res_cog x < 2.8: 37: Number of samples: 3 37: Average distance: 1.72076 nm 37: Standard deviation: 1.24839 nm 37: [ OK ] DistanceModuleTest.HandlesDynamicSelections (5 ms) 37: [----------] 3 tests from DistanceModuleTest (86 ms total) 37: 37: [----------] 2 tests from ExtractClusterModuleTest 37: [ RUN ] ExtractClusterModuleTest.WorksWithAllAtoms 37: trr version: GMX_trn_file (single precision) 37: Reading frame 0 time 0.000 Reading frame 1 time 0.002 Reading frame 2 time 0.004 Reading frame 3 time 0.006 Reading frame 4 time 0.008 Reading frame 5 time 0.010 Reading frame 6 time 0.012 Reading frame 7 time 0.014 Reading frame 8 time 0.016 Reading frame 9 time 0.018 Reading frame 10 time 0.020 Reading frame 11 time 0.022 Reading frame 12 time 0.024 Reading frame 13 time 0.026 Reading frame 14 time 0.028 Reading frame 15 time 0.030 Reading frame 16 time 0.032 Reading frame 17 time 0.034 Reading frame 18 time 0.036 Reading frame 19 time 0.038 Reading frame 20 time 0.040 37: Analyzed 26 frames, last time 0.050 37: There are 8 clusters containing 26 structures, highest framenr is 25 37: [ OK ] ExtractClusterModuleTest.WorksWithAllAtoms (42 ms) 37: [ RUN ] ExtractClusterModuleTest.WorksWithAtomSubset 37: Reading frame 0 time 0.000 Reading frame 1 time 0.002 Reading frame 2 time 0.004 Reading frame 3 time 0.006 Reading frame 4 time 0.008 Reading frame 5 time 0.010 Reading frame 6 time 0.012 Reading frame 7 time 0.014 Reading frame 8 time 0.016 Reading frame 9 time 0.018 Reading frame 10 time 0.020 Reading frame 11 time 0.022 Reading frame 12 time 0.024 Reading frame 13 time 0.026 Reading frame 14 time 0.028 Reading frame 15 time 0.030 Reading frame 16 time 0.032 Reading frame 17 time 0.034 Reading frame 18 time 0.036 Reading frame 19 time 0.038 Reading frame 20 time 0.040 37: Analyzed 26 frames, last time 0.050 37: There are 8 clusters containing 26 structures, highest framenr is 25 37: [ OK ] ExtractClusterModuleTest.WorksWithAtomSubset (4 ms) 37: [----------] 2 tests from ExtractClusterModuleTest (46 ms total) 37: 37: [----------] 2 tests from FreeVolumeModuleTest 37: [ RUN ] FreeVolumeModuleTest.ComputesFreeVolume 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for 40 particles. These were set to zero. 37: Reading frame 0 time 0.000 Last frame 0 time 0.000 37: Analyzed 1 frames, last time 0.000 37: cutoff = 0.18 nm 37: probe_radius = 0 nm 37: seed = 13 37: ninsert = 1000 probes per nm^3 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Tuanan C. Lourenco and Mariny F. C. Coelho and Teodorico C. Ramalho and David 37: van der Spoel and Luciano T. Costa 37: Insights on the Solubility of CO2 in 1-Ethyl-3-methylimidazolium 37: Bis(trifluoromethylsulfonyl)imide from the Microscopic Point of View 37: Environ. Sci. Technol. 47 (2013) pp. 7421-7429 37: -------- -------- --- Thank You --- -------- -------- 37: 37: Free volume 38.02 +/- 0.00 % 37: Total volume 68.92 +/- 0.00 nm^3 37: Number of molecules 340 total mass 63491.38 Dalton 37: Average molar mass: 186.74 Dalton 37: Density rho: 1529.71 +/- 0.00 nm^3 37: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3 37: Molecular van der Waals volume assuming homogeneity: 0.1256 +/- 0.0000 nm^3 37: Fractional free volume 0.194 +/- 0.000 37: [ OK ] FreeVolumeModuleTest.ComputesFreeVolume (94 ms) 37: [ RUN ] FreeVolumeModuleTest.ComputesFreeVolumeSelection 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: Reading frame 0 time 0.000 Last frame 0 time 0.000 37: Analyzed 1 frames, last time 0.000 37: cutoff = 0.18 nm 37: probe_radius = 0 nm 37: seed = 17 37: ninsert = 1000 probes per nm^3 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Tuanan C. Lourenco and Mariny F. C. Coelho and Teodorico C. Ramalho and David 37: van der Spoel and Luciano T. Costa 37: Insights on the Solubility of CO2 in 1-Ethyl-3-methylimidazolium 37: Bis(trifluoromethylsulfonyl)imide from the Microscopic Point of View 37: Environ. Sci. Technol. 47 (2013) pp. 7421-7429 37: -------- -------- --- Thank You --- -------- -------- 37: 37: Free volume 38.48 +/- 0.00 % 37: Total volume 68.92 +/- 0.00 nm^3 37: Number of molecules 340 total mass 63491.38 Dalton 37: Average molar mass: 186.74 Dalton 37: Density rho: 1529.71 +/- 0.00 nm^3 37: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3 37: Molecular van der Waals volume assuming homogeneity: 0.1247 +/- 0.0000 nm^3 37: Fractional free volume 0.200 +/- 0.000 37: [ OK ] FreeVolumeModuleTest.ComputesFreeVolumeSelection (146 ms) 37: [----------] 2 tests from FreeVolumeModuleTest (240 ms total) 37: 37: [----------] 9 tests from PairDistanceModuleTest 37: [ RUN ] PairDistanceModuleTest.ComputesAllDistances 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesAllDistances (598 ms) 37: [ RUN ] PairDistanceModuleTest.ComputesAllDistancesWithCutoff 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesAllDistancesWithCutoff (7 ms) 37: [ RUN ] PairDistanceModuleTest.ComputesMinDistanceWithCutoff 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesMinDistanceWithCutoff (6 ms) 37: [ RUN ] PairDistanceModuleTest.ComputesMaxDistance 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesMaxDistance (18 ms) 37: [ RUN ] PairDistanceModuleTest.ComputesMaxDistanceWithCutoff 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesMaxDistanceWithCutoff (14 ms) 37: [ RUN ] PairDistanceModuleTest.ComputesGroupedMinDistanceWithCutoff 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesGroupedMinDistanceWithCutoff (39 ms) 37: [ RUN ] PairDistanceModuleTest.ComputesGroupedMaxDistanceWithCutoff 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesGroupedMaxDistanceWithCutoff (9 ms) 37: [ RUN ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwritten 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwritten (7 ms) 37: [ RUN ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwrittenWithExplicitGroup 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwrittenWithExplicitGroup (13 ms) 37: [----------] 9 tests from PairDistanceModuleTest (713 ms total) 37: 37: [----------] 5 tests from RdfModuleTest 37: [ RUN ] RdfModuleTest.BasicTest 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] RdfModuleTest.BasicTest (49 ms) 37: [ RUN ] RdfModuleTest.SelectionsSolelyFromIndexFileWork 37: Reading frames from gro file '216H2O,WATJP01,SPC216,SPC-MODEL,300K,BOX(M)=1.86206NM,WFVG,MAR. 1984', 648 atoms. 37: Reading frame 0 time 0.000 Last frame 0 time 0.000 37: Analyzed 1 frames, last time 0.000 37: [ OK ] RdfModuleTest.SelectionsSolelyFromIndexFileWork (37 ms) 37: [ RUN ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork (241 ms) 37: [ RUN ] RdfModuleTest.CalculatesSurf 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] RdfModuleTest.CalculatesSurf (52 ms) 37: [ RUN ] RdfModuleTest.CalculatesXY 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] RdfModuleTest.CalculatesXY (38 ms) 37: [----------] 5 tests from RdfModuleTest (419 ms total) 37: 37: [----------] 5 tests from SasaModuleTest 37: [ RUN ] SasaModuleTest.BasicTest 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Frank Eisenhaber and Philip Lijnzaad and Patrick Argos and Chris Sander and 37: Michael Scharf 37: The Double Cube Lattice Method: Efficient Approaches to Numerical Integration 37: of Surface Area and Volume and to Dot Surface Contouring of Molecular 37: Assemblies 37: J. Comp. Chem. 16 (1995) pp. 273-284 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: [ OK ] SasaModuleTest.BasicTest (65 ms) 37: [ RUN ] SasaModuleTest.HandlesSelectedResidues 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Frank Eisenhaber and Philip Lijnzaad and Patrick Argos and Chris Sander and 37: Michael Scharf 37: The Double Cube Lattice Method: Efficient Approaches to Numerical Integration 37: of Surface Area and Volume and to Dot Surface Contouring of Molecular 37: Assemblies 37: J. Comp. Chem. 16 (1995) pp. 273-284 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: [ OK ] SasaModuleTest.HandlesSelectedResidues (18 ms) 37: [ RUN ] SasaModuleTest.WritesConnollySurfaceWithSolute 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Frank Eisenhaber and Philip Lijnzaad and Patrick Argos and Chris Sander and 37: Michael Scharf 37: The Double Cube Lattice Method: Efficient Approaches to Numerical Integration 37: of Surface Area and Volume and to Dot Surface Contouring of Molecular 37: Assemblies 37: J. Comp. Chem. 16 (1995) pp. 273-284 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: [ OK ] SasaModuleTest.WritesConnollySurfaceWithSolute (36 ms) 37: [ RUN ] SasaModuleTest.HandlesDynamicOutputGroup 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Frank Eisenhaber and Philip Lijnzaad and Patrick Argos and Chris Sander and 37: Michael Scharf 37: The Double Cube Lattice Method: Efficient Approaches to Numerical Integration 37: of Surface Area and Volume and to Dot Surface Contouring of Molecular 37: Assemblies 37: J. Comp. Chem. 16 (1995) pp. 273-284 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: [ OK ] SasaModuleTest.HandlesDynamicOutputGroup (38 ms) 37: [ RUN ] SasaModuleTest.HandlesDynamicCalculationGroup 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Frank Eisenhaber and Philip Lijnzaad and Patrick Argos and Chris Sander and 37: Michael Scharf 37: The Double Cube Lattice Method: Efficient Approaches to Numerical Integration 37: of Surface Area and Volume and to Dot Surface Contouring of Molecular 37: Assemblies 37: J. Comp. Chem. 16 (1995) pp. 273-284 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: [ OK ] SasaModuleTest.HandlesDynamicCalculationGroup (27 ms) 37: [----------] 5 tests from SasaModuleTest (187 ms total) 37: 37: [----------] 8 tests from SelectModuleTest 37: [ RUN ] SelectModuleTest.BasicTest 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.BasicTest (22 ms) 37: [ RUN ] SelectModuleTest.HandlesPDBOutputWithNonPDBInput 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.HandlesPDBOutputWithNonPDBInput (23 ms) 37: [ RUN ] SelectModuleTest.HandlesPDBOutputWithPDBInput 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.HandlesPDBOutputWithPDBInput (13 ms) 37: [ RUN ] SelectModuleTest.HandlesMaxPDBOutput 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.HandlesMaxPDBOutput (4 ms) 37: [ RUN ] SelectModuleTest.HandlesSelectedPDBOutput 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.HandlesSelectedPDBOutput (19 ms) 37: [ RUN ] SelectModuleTest.NormalizesSizes 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.NormalizesSizes (3 ms) 37: [ RUN ] SelectModuleTest.WritesResidueNumbers 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.WritesResidueNumbers (9 ms) 37: [ RUN ] SelectModuleTest.WritesResidueIndices 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.WritesResidueIndices (2 ms) 37: [----------] 8 tests from SelectModuleTest (97 ms total) 37: 37: [----------] 10 tests from SurfaceAreaTest 37: [ RUN ] SurfaceAreaTest.ComputesSinglePoint 37: [ OK ] SurfaceAreaTest.ComputesSinglePoint (0 ms) 37: [ RUN ] SurfaceAreaTest.ComputesTwoPoints 37: [ OK ] SurfaceAreaTest.ComputesTwoPoints (1 ms) 37: [ RUN ] SurfaceAreaTest.ComputesTwoPointsOfUnequalRadius 37: [ OK ] SurfaceAreaTest.ComputesTwoPointsOfUnequalRadius (1 ms) 37: [ RUN ] SurfaceAreaTest.SurfacePoints12 37: [ OK ] SurfaceAreaTest.SurfacePoints12 (3 ms) 37: [ RUN ] SurfaceAreaTest.SurfacePoints32 37: [ OK ] SurfaceAreaTest.SurfacePoints32 (12 ms) 37: [ RUN ] SurfaceAreaTest.SurfacePoints42 37: [ OK ] SurfaceAreaTest.SurfacePoints42 (6 ms) 37: [ RUN ] SurfaceAreaTest.SurfacePoints122 37: [ OK ] SurfaceAreaTest.SurfacePoints122 (2 ms) 37: [ RUN ] SurfaceAreaTest.Computes100Points 37: [ OK ] SurfaceAreaTest.Computes100Points (1 ms) 37: [ RUN ] SurfaceAreaTest.Computes100PointsWithRectangularPBC 37: [ OK ] SurfaceAreaTest.Computes100PointsWithRectangularPBC (17 ms) 37: [ RUN ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC 37: [ OK ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC (6 ms) 37: [----------] 10 tests from SurfaceAreaTest (50 ms total) 37: 37: [----------] 4 tests from TopologyInformation 37: [ RUN ] TopologyInformation.CantWorkWithoutReadingAFile 37: [ OK ] TopologyInformation.CantWorkWithoutReadingAFile (0 ms) 37: [ RUN ] TopologyInformation.WorksWithGroFile 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TopologyInformation.WorksWithGroFile (4 ms) 37: [ RUN ] TopologyInformation.WorksWithPdbFile 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TopologyInformation.WorksWithPdbFile (13 ms) 37: [ RUN ] TopologyInformation.WorksWithTprFromPdbFile 37: 37: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.mdp]: 37: For a correct single-point energy evaluation with nsteps = 0, use 37: continuation = yes to avoid constraining the input coordinates. 37: 37: Setting the LD random seed to -1493311521 37: Generated 330891 of the 330891 non-bonded parameter combinations 37: Generating 1-4 interactions: fudge = 0.5 37: Generated 330891 of the 330891 1-4 parameter combinations 37: Excluding 3 bonded neighbours molecule type 'Protein_chain_B' 37: 37: NOTE 2 [file lysozyme.top, line 1465]: 37: System has non-zero total charge: 2.000000 37: Total charge should normally be an integer. See 37: http://www.gromacs.org/Documentation/Floating_Point_Arithmetic 37: for discussion on how close it should be to an integer. 37: 37: 37: 37: Number of degrees of freedom in T-Coupling group rest is 465.00 37: 37: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.mdp]: 37: NVE simulation with an initial temperature of zero: will use a Verlet 37: buffer of 10%. Check your energy drift! 37: 37: 37: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.mdp]: 37: You are using a plain Coulomb cut-off, which might produce artifacts. 37: You might want to consider using PME electrostatics. 37: 37: 37: 37: There were 4 notes 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 37: Analysing residue names: 37: There are: 10 Protein residues 37: Analysing Protein... 37: This run will generate roughly 0 Mb of data 37: [ OK ] TopologyInformation.WorksWithTprFromPdbFile (1320 ms) 37: [----------] 4 tests from TopologyInformation (1337 ms total) 37: 37: [----------] 4 tests from TrajectoryModuleTest 37: [ RUN ] TrajectoryModuleTest.BasicTest 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TrajectoryModuleTest.BasicTest (8 ms) 37: [ RUN ] TrajectoryModuleTest.PlotsXOnly 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TrajectoryModuleTest.PlotsXOnly (8 ms) 37: [ RUN ] TrajectoryModuleTest.HandlesNoVelocities 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TrajectoryModuleTest.HandlesNoVelocities (50 ms) 37: [ RUN ] TrajectoryModuleTest.HandlesNoForces 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TrajectoryModuleTest.HandlesNoForces (7 ms) 37: [----------] 4 tests from TrajectoryModuleTest (73 ms total) 37: 37: [----------] 5 tests from UnionFinderTest 37: [ RUN ] UnionFinderTest.WorksEmpty 37: [ OK ] UnionFinderTest.WorksEmpty (0 ms) 37: [ RUN ] UnionFinderTest.BasicMerges 37: [ OK ] UnionFinderTest.BasicMerges (0 ms) 37: [ RUN ] UnionFinderTest.LargerMerges 37: [ OK ] UnionFinderTest.LargerMerges (0 ms) 37: [ RUN ] UnionFinderTest.LongRightMerge 37: [ OK ] UnionFinderTest.LongRightMerge (0 ms) 37: [ RUN ] UnionFinderTest.LongLeftMerge 37: [ OK ] UnionFinderTest.LongLeftMerge (0 ms) 37: [----------] 5 tests from UnionFinderTest (0 ms total) 37: 37: [----------] 1 test from MappedUnionFinderTest 37: [ RUN ] MappedUnionFinderTest.BasicMerges 37: [ OK ] MappedUnionFinderTest.BasicMerges (0 ms) 37: [----------] 1 test from MappedUnionFinderTest (0 ms total) 37: 37: [----------] Global test environment tear-down 37: [==========] 82 tests from 16 test cases ran. (4425 ms total) 37: [ PASSED ] 82 tests. 37/54 Test #37: TrajectoryAnalysisUnitTests ......... Passed 4.45 sec test 38 Start 38: EnergyAnalysisUnitTests 38: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/energyanalysis-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/EnergyAnalysisUnitTests.xml" 38: Test timeout computed to be: 30 38: [==========] Running 7 tests from 4 test cases. 38: [----------] Global test environment set-up. 38: [----------] 1 test from DhdlTest 38: [ RUN ] DhdlTest.ExtractDhdl 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/dhdl.edr as double precision energy file 38: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/dhdl.tpr, VERSION 2016-dev-20160810-e3ded7f (double precision) 38: Note: file tpx version 110, software tpx version 119 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.010 Reading energy frame 2 time 0.020 Reading energy frame 3 time 0.030 Reading energy frame 4 time 0.040 Reading energy frame 5 time 0.050 Reading energy frame 6 time 0.060 Reading energy frame 7 time 0.070 Reading energy frame 8 time 0.080 Reading energy frame 9 time 0.090 Reading energy frame 10 time 0.100 Reading energy frame 11 time 0.110 Reading energy frame 12 time 0.120 Reading energy frame 13 time 0.130 Reading energy frame 14 time 0.140 Reading energy frame 15 time 0.150 Reading energy frame 16 time 0.160 Reading energy frame 17 time 0.170 Reading energy frame 18 time 0.180 Reading energy frame 19 time 0.190 Reading energy frame 20 time 0.200 Reading energy frame 30 time 0.300 Reading energy frame 40 time 0.400 Reading energy frame 50 time 0.500 Reading energy frame 60 time 0.600 Reading energy frame 70 time 0.700 Reading energy frame 80 time 0.800 Reading energy frame 90 time 0.900 Reading energy frame 100 time 1.000 Last energy frame read 100 time 1.000 38: 38: 38: Wrote 8 lambda values with 101 samples as 808 dH data blocks to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/energyanalysis/tests/Testing/Temporary/DhdlTest_ExtractDhdl_dhdl.xvg 38: [ OK ] DhdlTest.ExtractDhdl (177 ms) 38: [----------] 1 test from DhdlTest (178 ms total) 38: 38: [----------] 1 test from OriresTest 38: [ RUN ] OriresTest.ExtractOrires 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/orires.edr as single precision energy file 38: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/orires.tpr, VERSION 2017-dev-20170725-fea8651 (single precision) 38: Note: file tpx version 111, software tpx version 119 38: Found 7 orientation restraints with 1 experimentsSelect the orientation restraint labels you want (-1 is all) 38: End your selection with 0 38: Selecting all 7 orientation restraints 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.002 Reading energy frame 2 time 0.004 Reading energy frame 3 time 0.006 Reading energy frame 4 time 0.008 Reading energy frame 5 time 0.010 Reading energy frame 6 time 0.012 Reading energy frame 7 time 0.014 Reading energy frame 8 time 0.016 Reading energy frame 9 time 0.018 Reading energy frame 10 time 0.020 Last energy frame read 10 time 0.020 38: [ OK ] OriresTest.ExtractOrires (31 ms) 38: [----------] 1 test from OriresTest (31 ms total) 38: 38: [----------] 3 tests from EnergyTest 38: [ RUN ] EnergyTest.ExtractEnergy 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file 38: 38: Select the terms you want from the following list by 38: selecting either (part of) the name or the number or a combination. 38: End your selection with an empty line or a zero. 38: ------------------------------------------------------------------- 38: 1 LJ-(SR) 2 Disper.-corr. 3 Coulomb-(SR) 4 Coul.-recip. 38: 5 Potential 6 Kinetic-En. 7 Total-Energy 8 Temperature 38: 9 Pres.-DC 10 Pressure 11 Box-X 12 Box-Y 38: 13 Box-Z 14 Volume 15 Density 16 pV 38: 17 Enthalpy 18 Vir-XX 19 Vir-XY 20 Vir-XZ 38: 21 Vir-YX 22 Vir-YY 23 Vir-YZ 24 Vir-ZX 38: 25 Vir-ZY 26 Vir-ZZ 27 Pres-XX 28 Pres-XY 38: 29 Pres-XZ 30 Pres-YX 31 Pres-YY 32 Pres-YZ 38: 33 Pres-ZX 34 Pres-ZY 35 Pres-ZZ 36 #Surf*SurfTen 38: 37 Box-Vel-XX 38 Box-Vel-YY 39 Box-Vel-ZZ 40 T-System 38: 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.200 Reading energy frame 2 time 0.400 Reading energy frame 3 time 0.600 Reading energy frame 4 time 0.800 Reading energy frame 5 time 1.000 Reading energy frame 6 time 1.200 Reading energy frame 7 time 1.400 Reading energy frame 8 time 1.600 Reading energy frame 9 time 1.800 Reading energy frame 10 time 2.000 Reading energy frame 11 time 2.200 Reading energy frame 12 time 2.400 Reading energy frame 13 time 2.600 Reading energy frame 14 time 2.800 Reading energy frame 15 time 3.000 Reading energy frame 16 time 3.200 Reading energy frame 17 time 3.400 Reading energy frame 18 time 3.600 Reading energy frame 19 time 3.800 Reading energy frame 20 time 4.000 Reading energy frame 30 time 6.000 Reading energy frame 40 time 8.000 Reading energy frame 50 time 10.000 Last energy frame read 50 time 10.000 38: 38: Statistics over 5001 steps [ 0.0000 through 10.0000 ps ], 3 data sets 38: All statistics are over 5001 points 38: 38: Energy Average Err.Est. RMSD Tot-Drift 38: ------------------------------------------------------------------------------- 38: Potential -34142.2 39 228.993 -62.8906 (kJ/mol) 38: Kinetic En. 6132.38 0.42 119.428 -0.266996 (kJ/mol) 38: Total Energy -28009.8 39 258.637 -63.1577 (kJ/mol) 38: [ OK ] EnergyTest.ExtractEnergy (11 ms) 38: [ RUN ] EnergyTest.ExtractEnergyByNumber 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file 38: 38: Select the terms you want from the following list by 38: selecting either (part of) the name or the number or a combination. 38: End your selection with an empty line or a zero. 38: ------------------------------------------------------------------- 38: 1 LJ-(SR) 2 Disper.-corr. 3 Coulomb-(SR) 4 Coul.-recip. 38: 5 Potential 6 Kinetic-En. 7 Total-Energy 8 Temperature 38: 9 Pres.-DC 10 Pressure 11 Box-X 12 Box-Y 38: 13 Box-Z 14 Volume 15 Density 16 pV 38: 17 Enthalpy 18 Vir-XX 19 Vir-XY 20 Vir-XZ 38: 21 Vir-YX 22 Vir-YY 23 Vir-YZ 24 Vir-ZX 38: 25 Vir-ZY 26 Vir-ZZ 27 Pres-XX 28 Pres-XY 38: 29 Pres-XZ 30 Pres-YX 31 Pres-YY 32 Pres-YZ 38: 33 Pres-ZX 34 Pres-ZY 35 Pres-ZZ 36 #Surf*SurfTen 38: 37 Box-Vel-XX 38 Box-Vel-YY 39 Box-Vel-ZZ 40 T-System 38: 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.200 Reading energy frame 2 time 0.400 Reading energy frame 3 time 0.600 Reading energy frame 4 time 0.800 Reading energy frame 5 time 1.000 Reading energy frame 6 time 1.200 Reading energy frame 7 time 1.400 Reading energy frame 8 time 1.600 Reading energy frame 9 time 1.800 Reading energy frame 10 time 2.000 Reading energy frame 11 time 2.200 Reading energy frame 12 time 2.400 Reading energy frame 13 time 2.600 Reading energy frame 14 time 2.800 Reading energy frame 15 time 3.000 Reading energy frame 16 time 3.200 Reading energy frame 17 time 3.400 Reading energy frame 18 time 3.600 Reading energy frame 19 time 3.800 Reading energy frame 20 time 4.000 Reading energy frame 30 time 6.000 Reading energy frame 40 time 8.000 Reading energy frame 50 time 10.000 Last energy frame read 50 time 10.000 38: 38: Statistics over 5001 steps [ 0.0000 through 10.0000 ps ], 3 data sets 38: All statistics are over 5001 points 38: 38: Energy Average Err.Est. RMSD Tot-Drift 38: ------------------------------------------------------------------------------- 38: Coul. recip. 302.771 2.8 17.5152 12.5403 (kJ/mol) 38: Kinetic En. 6132.38 0.42 119.428 -0.266996 (kJ/mol) 38: Pres. DC -268.49 3 8.52175 13.2804 (bar) 38: [ OK ] EnergyTest.ExtractEnergyByNumber (19 ms) 38: [ RUN ] EnergyTest.ExtractEnergyMixed 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file 38: 38: Select the terms you want from the following list by 38: selecting either (part of) the name or the number or a combination. 38: End your selection with an empty line or a zero. 38: ------------------------------------------------------------------- 38: 1 LJ-(SR) 2 Disper.-corr. 3 Coulomb-(SR) 4 Coul.-recip. 38: 5 Potential 6 Kinetic-En. 7 Total-Energy 8 Temperature 38: 9 Pres.-DC 10 Pressure 11 Box-X 12 Box-Y 38: 13 Box-Z 14 Volume 15 Density 16 pV 38: 17 Enthalpy 18 Vir-XX 19 Vir-XY 20 Vir-XZ 38: 21 Vir-YX 22 Vir-YY 23 Vir-YZ 24 Vir-ZX 38: 25 Vir-ZY 26 Vir-ZZ 27 Pres-XX 28 Pres-XY 38: 29 Pres-XZ 30 Pres-YX 31 Pres-YY 32 Pres-YZ 38: 33 Pres-ZX 34 Pres-ZY 35 Pres-ZZ 36 #Surf*SurfTen 38: 37 Box-Vel-XX 38 Box-Vel-YY 39 Box-Vel-ZZ 40 T-System 38: 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.200 Reading energy frame 2 time 0.400 Reading energy frame 3 time 0.600 Reading energy frame 4 time 0.800 Reading energy frame 5 time 1.000 Reading energy frame 6 time 1.200 Reading energy frame 7 time 1.400 Reading energy frame 8 time 1.600 Reading energy frame 9 time 1.800 Reading energy frame 10 time 2.000 Reading energy frame 11 time 2.200 Reading energy frame 12 time 2.400 Reading energy frame 13 time 2.600 Reading energy frame 14 time 2.800 Reading energy frame 15 time 3.000 Reading energy frame 16 time 3.200 Reading energy frame 17 time 3.400 Reading energy frame 18 time 3.600 Reading energy frame 19 time 3.800 Reading energy frame 20 time 4.000 Reading energy frame 30 time 6.000 Reading energy frame 40 time 8.000 Reading energy frame 50 time 10.000 Last energy frame read 50 time 10.000 38: 38: Statistics over 5001 steps [ 0.0000 through 10.0000 ps ], 4 data sets 38: All statistics are over 5001 points 38: 38: Energy Average Err.Est. RMSD Tot-Drift 38: ------------------------------------------------------------------------------- 38: Total Energy -28009.8 39 258.637 -63.1577 (kJ/mol) 38: Pressure 5.34371 4.1 605.307 -4.88771 (bar) 38: Box-Z 2.92457 0.0054 0.0151558 0.0234974 (nm) 38: Volume 25.0162 0.14 0.386769 0.598615 (nm^3) 38: [ OK ] EnergyTest.ExtractEnergyMixed (7 ms) 38: [----------] 3 tests from EnergyTest (37 ms total) 38: 38: [----------] 2 tests from ViscosityTest 38: [ RUN ] ViscosityTest.EinsteinViscosity 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.200 Reading energy frame 2 time 0.400 Reading energy frame 3 time 0.600 Reading energy frame 4 time 0.800 Reading energy frame 5 time 1.000 Reading energy frame 6 time 1.200 Reading energy frame 7 time 1.400 Reading energy frame 8 time 1.600 Reading energy frame 9 time 1.800 Reading energy frame 10 time 2.000 Reading energy frame 11 time 2.200 Reading energy frame 12 time 2.400 Reading energy frame 13 time 2.600 Reading energy frame 14 time 2.800 Reading energy frame 15 time 3.000 Reading energy frame 16 time 3.200 Reading energy frame 17 time 3.400 Reading energy frame 18 time 3.600 Reading energy frame 19 time 3.800 Reading energy frame 20 time 4.000 Reading energy frame 30 time 6.000 Reading energy frame 40 time 8.000 Reading energy frame 50 time 10.000 Last energy frame read 50 time 10.000 38: 38: Statistics over 5001 steps [ 0.0000 through 10.0000 ps ], 12 data sets 38: All statistics are over 5001 points 38: 38: Energy Average Err.Est. RMSD Tot-Drift 38: ------------------------------------------------------------------------------- 38: Pres-XX 20.2092 65 717.193 185.978 (bar) 38: Pres-XY -47.7351 39 372.522 207.456 (bar) 38: Pres-XZ 11.477 31 379.79 6.80818 (bar) 38: Pres-YX -47.7106 39 372.525 207.5 (bar) 38: Pres-YY 38.9241 40 803.899 -27.1505 (bar) 38: Pres-YZ -41.3534 45 401.216 114.663 (bar) 38: Pres-ZX 11.5238 31 379.804 6.91707 (bar) 38: Pres-ZY -41.3119 45 401.196 114.743 (bar) 38: Pres-ZZ -43.1021 63 748.522 -173.491 (bar) 38: Temperature 300.001 0.02 5.8425 -0.0130558 (K) 38: Volume 25.0162 0.14 0.386769 0.598615 (nm^3) 38: Pressure 5.34371 4.1 605.307 -4.88771 (bar) 38: [ OK ] ViscosityTest.EinsteinViscosity (838 ms) 38: [ RUN ] ViscosityTest.EinsteinViscosityIntegral 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.200 Reading energy frame 2 time 0.400 Reading energy frame 3 time 0.600 Reading energy frame 4 time 0.800 Reading energy frame 5 time 1.000 Reading energy frame 6 time 1.200 Reading energy frame 7 time 1.400 Reading energy frame 8 time 1.600 Reading energy frame 9 time 1.800 Reading energy frame 10 time 2.000 Reading energy frame 11 time 2.200 Reading energy frame 12 time 2.400 Reading energy frame 13 time 2.600 Reading energy frame 14 time 2.800 Reading energy frame 15 time 3.000 Reading energy frame 16 time 3.200 Reading energy frame 17 time 3.400 Reading energy frame 18 time 3.600 Reading energy frame 19 time 3.800 Reading energy frame 20 time 4.000 Reading energy frame 30 time 6.000 Reading energy frame 40 time 8.000 Reading energy frame 50 time 10.000 Last energy frame read 50 time 10.000 38: 38: Statistics over 5001 steps [ 0.0000 through 10.0000 ps ], 12 data sets 38: All statistics are over 5001 points 38: 38: Energy Average Err.Est. RMSD Tot-Drift 38: ------------------------------------------------------------------------------- 38: Pres-XX 20.2092 65 717.193 185.978 (bar) 38: Pres-XY -47.7351 39 372.522 207.456 (bar) 38: Pres-XZ 11.477 31 379.79 6.80818 (bar) 38: Pres-YX -47.7106 39 372.525 207.5 (bar) 38: Pres-YY 38.9241 40 803.899 -27.1505 (bar) 38: Pres-YZ -41.3534 45 401.216 114.663 (bar) 38: Pres-ZX 11.5238 31 379.804 6.91707 (bar) 38: Pres-ZY -41.3119 45 401.196 114.743 (bar) 38: Pres-ZZ -43.1021 63 748.522 -173.491 (bar) 38: Temperature 300.001 0.02 5.8425 -0.0130558 (K) 38: Volume 25.0162 0.14 0.386769 0.598615 (nm^3) 38: Pressure 5.34371 4.1 605.307 -4.88771 (bar) 38: [ OK ] ViscosityTest.EinsteinViscosityIntegral (1408 ms) 38: [----------] 2 tests from ViscosityTest (2246 ms total) 38: 38: [----------] Global test environment tear-down 38: [==========] 7 tests from 4 test cases ran. (2492 ms total) 38: [ PASSED ] 7 tests. 38/54 Test #38: EnergyAnalysisUnitTests ............. Passed 3.30 sec test 39 Start 39: ToolUnitTests 39: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/tool-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/ToolUnitTests.xml" 39: Test timeout computed to be: 30 39: [==========] Running 18 tests from 4 test cases. 39: [----------] Global test environment set-up. 39: [----------] 2 tests from DumpTest 39: 39: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.mdp]: 39: For a correct single-point energy evaluation with nsteps = 0, use 39: continuation = yes to avoid constraining the input coordinates. 39: 39: Setting the LD random seed to 2130079455 39: Generated 330891 of the 330891 non-bonded parameter combinations 39: Generating 1-4 interactions: fudge = 0.5 39: Generated 330891 of the 330891 1-4 parameter combinations 39: Excluding 3 bonded neighbours molecule type 'Protein_chain_B' 39: 39: NOTE 2 [file lysozyme.top, line 1465]: 39: System has non-zero total charge: 2.000000 39: Total charge should normally be an integer. See 39: http://www.gromacs.org/Documentation/Floating_Point_Arithmetic 39: for discussion on how close it should be to an integer. 39: 39: 39: 39: Number of degrees of freedom in T-Coupling group rest is 465.00 39: 39: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.mdp]: 39: NVE simulation with an initial temperature of zero: will use a Verlet 39: buffer of 10%. Check your energy drift! 39: 39: 39: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.mdp]: 39: You are using a plain Coulomb cut-off, which might produce artifacts. 39: You might want to consider using PME electrostatics. 39: 39: 39: 39: There were 4 notes 39: Analysing residue names: 39: There are: 10 Protein residues 39: Analysing Protein... 39: This run will generate roughly 0 Mb of data 39: [ RUN ] DumpTest.WorksWithTpr 39: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 39: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 39: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr: 39: inputrec: 39: integrator = md 39: tinit = 0 39: dt = 0.001 39: nsteps = 0 39: init-step = 0 39: simulation-part = 1 39: comm-mode = Linear 39: nstcomm = 100 39: bd-fric = 0 39: ld-seed = 2130079455 39: emtol = 10 39: emstep = 0.01 39: niter = 20 39: fcstep = 0 39: nstcgsteep = 1000 39: nbfgscorr = 10 39: rtpi = 0.05 39: nstxout = 0 39: nstvout = 0 39: nstfout = 0 39: nstlog = 1000 39: nstcalcenergy = 100 39: nstenergy = 1000 39: nstxout-compressed = 0 39: compressed-x-precision = 1000 39: cutoff-scheme = Verlet 39: nstlist = 10 39: pbc = xyz 39: periodic-molecules = false 39: verlet-buffer-tolerance = -1 39: rlist = 1.1 39: coulombtype = Cut-off 39: coulomb-modifier = Potential-shift 39: rcoulomb-switch = 0 39: rcoulomb = 1 39: epsilon-r = 1 39: epsilon-rf = inf 39: vdw-type = Cut-off 39: vdw-modifier = Potential-shift 39: rvdw-switch = 0 39: rvdw = 1 39: DispCorr = No 39: table-extension = 1 39: fourierspacing = 0.12 39: fourier-nx = 0 39: fourier-ny = 0 39: fourier-nz = 0 39: pme-order = 4 39: ewald-rtol = 1e-05 39: ewald-rtol-lj = 0.001 39: lj-pme-comb-rule = Geometric 39: ewald-geometry = 0 39: epsilon-surface = 0 39: tcoupl = No 39: nsttcouple = -1 39: nh-chain-length = 0 39: print-nose-hoover-chain-variables = false 39: pcoupl = No 39: pcoupltype = Isotropic 39: nstpcouple = -1 39: tau-p = 1 39: compressibility (3x3): 39: compressibility[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: compressibility[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: compressibility[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: ref-p (3x3): 39: ref-p[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: ref-p[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: ref-p[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: refcoord-scaling = No 39: posres-com (3): 39: posres-com[0]= 0.00000e+00 39: posres-com[1]= 0.00000e+00 39: posres-com[2]= 0.00000e+00 39: posres-comB (3): 39: posres-comB[0]= 0.00000e+00 39: posres-comB[1]= 0.00000e+00 39: posres-comB[2]= 0.00000e+00 39: QMMM = false 39: QMconstraints = 0 39: QMMMscheme = 0 39: MMChargeScaleFactor = 1 39: qm-opts: 39: ngQM = 0 39: constraint-algorithm = Lincs 39: continuation = false 39: Shake-SOR = false 39: shake-tol = 0.0001 39: lincs-order = 4 39: lincs-iter = 1 39: lincs-warnangle = 30 39: nwall = 0 39: wall-type = 9-3 39: wall-r-linpot = -1 39: wall-atomtype[0] = -1 39: wall-atomtype[1] = -1 39: wall-density[0] = 0 39: wall-density[1] = 0 39: wall-ewald-zfac = 3 39: pull = false 39: awh = false 39: rotation = false 39: interactiveMD = false 39: disre = No 39: disre-weighting = Conservative 39: disre-mixed = false 39: dr-fc = 1000 39: dr-tau = 0 39: nstdisreout = 100 39: orire-fc = 0 39: orire-tau = 0 39: nstorireout = 100 39: free-energy = no 39: cos-acceleration = 0 39: deform (3x3): 39: deform[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: deform[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: deform[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: simulated-tempering = false 39: swapcoords = no 39: userint1 = 0 39: userint2 = 0 39: userint3 = 0 39: userint4 = 0 39: userreal1 = 0 39: userreal2 = 0 39: userreal3 = 0 39: userreal4 = 0 39: applied-forces: 39: electric-field: 39: x: 39: E0 = 0 39: omega = 0 39: t0 = 0 39: sigma = 0 39: y: 39: E0 = 0 39: omega = 0 39: t0 = 0 39: sigma = 0 39: z: 39: E0 = 0 39: omega = 0 39: t0 = 0 39: sigma = 0 39: density-guided-simulation: 39: active = false 39: group = protein 39: similarity-measure = inner-product 39: atom-spreading-weight = unity 39: force-constant = 1e+09 39: gaussian-transform-spreading-width = 0.2 39: gaussian-transform-spreading-range-in-multiples-of-width = 4 39: reference-density-filename = reference.mrc 39: nst = 1 39: normalize-densities = true 39: adaptive-force-scaling = false 39: adaptive-force-scaling-time-constant = 4 39: grpopts: 39: nrdf: 465 39: ref-t: 0 39: tau-t: 0 39: annealing: No 39: annealing-npoints: 0 39: acc: 0 0 0 39: nfreeze: N N N 39: energygrp-flags[ 0]: 0 39: header: 39: bIr = present 39: bBox = present 39: bTop = present 39: bX = present 39: bV = present 39: bF = not present 39: natoms = 156 39: lambda = 0.000000e+00 39: buffer size = 59422 39: topology: 39: name="First 10 residues from 1AKI" 39: #atoms = 156 39: #molblock = 1 39: molblock (0): 39: moltype = 0 "Protein_chain_B" 39: #molecules = 1 39: #posres_xA = 0 39: #posres_xB = 0 39: bIntermolecularInteractions = false 39: ffparams: 39: atnr=10 39: ntypes=212 39: functype[0]=LJ_SR, c6= 3.35274590e-03, c12= 3.95094276e-06 39: functype[1]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[2]=LJ_SR, c6= 2.60916958e-03, c12= 3.84022405e-06 39: functype[3]=LJ_SR, c6= 6.41072227e-04, c12= 3.43856414e-07 39: functype[4]=LJ_SR, c6= 4.04775795e-03, c12= 7.32754188e-06 39: functype[5]=LJ_SR, c6= 2.81521026e-03, c12= 2.50631660e-06 39: functype[6]=LJ_SR, c6= 2.80388421e-03, c12= 4.30620821e-06 39: functype[7]=LJ_SR, c6= 5.81477652e-04, c12= 2.82897616e-07 39: functype[8]=LJ_SR, c6= 6.03335386e-04, c12= 2.35915493e-07 39: functype[9]=LJ_SR, c6= 7.20490469e-03, c12= 1.15394714e-05 39: functype[10]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[11]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[12]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[13]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[14]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[15]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[16]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[17]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[18]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[19]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[20]=LJ_SR, c6= 2.60916958e-03, c12= 3.84022405e-06 39: functype[21]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[22]=LJ_SR, c6= 2.03050394e-03, c12= 3.73260514e-06 39: functype[23]=LJ_SR, c6= 4.98894195e-04, c12= 3.34220175e-07 39: functype[24]=LJ_SR, c6= 3.15004122e-03, c12= 7.12220026e-06 39: functype[25]=LJ_SR, c6= 2.19085021e-03, c12= 2.43608270e-06 39: functype[26]=LJ_SR, c6= 2.18203571e-03, c12= 4.18553600e-06 39: functype[27]=LJ_SR, c6= 4.52516542e-04, c12= 2.74969580e-07 39: functype[28]=LJ_SR, c6= 4.69526683e-04, c12= 2.29304163e-07 39: functype[29]=LJ_SR, c6= 5.60698984e-03, c12= 1.12160897e-05 39: functype[30]=LJ_SR, c6= 6.41072227e-04, c12= 3.43856414e-07 39: functype[31]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[32]=LJ_SR, c6= 4.98894195e-04, c12= 3.34220175e-07 39: functype[33]=LJ_SR, c6= 1.22578131e-04, c12= 2.99263014e-08 39: functype[34]=LJ_SR, c6= 7.73964217e-04, c12= 6.37726998e-07 39: functype[35]=LJ_SR, c6= 5.38290828e-04, c12= 2.18128321e-07 39: functype[36]=LJ_SR, c6= 5.36125386e-04, c12= 3.74775709e-07 39: functype[37]=LJ_SR, c6= 1.11183173e-04, c12= 2.46209719e-08 39: functype[38]=LJ_SR, c6= 1.15362534e-04, c12= 2.05320472e-08 39: functype[39]=LJ_SR, c6= 1.37763575e-03, c12= 1.00429668e-06 39: functype[40]=LJ_SR, c6= 4.04775795e-03, c12= 7.32754188e-06 39: functype[41]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[42]=LJ_SR, c6= 3.15004122e-03, c12= 7.12220026e-06 39: functype[43]=LJ_SR, c6= 7.73964217e-04, c12= 6.37726998e-07 39: functype[44]=LJ_SR, c6= 4.88684513e-03, c12= 1.35898972e-05 39: functype[45]=LJ_SR, c6= 3.39879468e-03, c12= 4.64829736e-06 39: functype[46]=LJ_SR, c6= 3.38512054e-03, c12= 7.98643487e-06 39: functype[47]=LJ_SR, c6= 7.02015939e-04, c12= 5.24670895e-07 39: functype[48]=LJ_SR, c6= 7.28404266e-04, c12= 4.37535846e-07 39: functype[49]=LJ_SR, c6= 8.69845692e-03, c12= 2.14014708e-05 39: functype[50]=LJ_SR, c6= 2.81521026e-03, c12= 2.50631660e-06 39: functype[51]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[52]=LJ_SR, c6= 2.19085021e-03, c12= 2.43608270e-06 39: functype[53]=LJ_SR, c6= 5.38290828e-04, c12= 2.18128321e-07 39: functype[54]=LJ_SR, c6= 3.39879468e-03, c12= 4.64829736e-06 39: functype[55]=LJ_SR, c6= 2.36385735e-03, c12= 1.58990645e-06 39: functype[56]=LJ_SR, c6= 2.35434738e-03, c12= 2.73168575e-06 39: functype[57]=LJ_SR, c6= 4.88250953e-04, c12= 1.79458596e-07 39: functype[58]=LJ_SR, c6= 5.06604381e-04, c12= 1.49655136e-07 39: functype[59]=LJ_SR, c6= 6.04976481e-03, c12= 7.32016997e-06 39: functype[60]=LJ_SR, c6= 2.80388421e-03, c12= 4.30620821e-06 39: functype[61]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[62]=LJ_SR, c6= 2.18203571e-03, c12= 4.18553600e-06 39: functype[63]=LJ_SR, c6= 5.36125386e-04, c12= 3.74775709e-07 39: functype[64]=LJ_SR, c6= 3.38512054e-03, c12= 7.98643487e-06 39: functype[65]=LJ_SR, c6= 2.35434738e-03, c12= 2.73168575e-06 39: functype[66]=LJ_SR, c6= 2.34487536e-03, c12= 4.69342376e-06 39: functype[67]=LJ_SR, c6= 4.86286852e-04, c12= 3.08335643e-07 39: functype[68]=LJ_SR, c6= 5.04566357e-04, c12= 2.57128875e-07 39: functype[69]=LJ_SR, c6= 6.02542516e-03, c12= 1.25770912e-05 39: functype[70]=LJ_SR, c6= 5.81477652e-04, c12= 2.82897616e-07 39: functype[71]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[72]=LJ_SR, c6= 4.52516542e-04, c12= 2.74969580e-07 39: functype[73]=LJ_SR, c6= 1.11183173e-04, c12= 2.46209719e-08 39: functype[74]=LJ_SR, c6= 7.02015939e-04, c12= 5.24670895e-07 39: functype[75]=LJ_SR, c6= 4.88250953e-04, c12= 1.79458596e-07 39: functype[76]=LJ_SR, c6= 4.86286852e-04, c12= 3.08335643e-07 39: functype[77]=LJ_SR, c6= 1.00847494e-04, c12= 2.02561683e-08 39: functype[78]=LJ_SR, c6= 1.04638377e-04, c12= 1.68921392e-08 39: functype[79]=LJ_SR, c6= 1.24956947e-03, c12= 8.26254961e-07 39: functype[80]=LJ_SR, c6= 6.03335386e-04, c12= 2.35915493e-07 39: functype[81]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[82]=LJ_SR, c6= 4.69526683e-04, c12= 2.29304163e-07 39: functype[83]=LJ_SR, c6= 1.15362534e-04, c12= 2.05320472e-08 39: functype[84]=LJ_SR, c6= 7.28404266e-04, c12= 4.37535846e-07 39: functype[85]=LJ_SR, c6= 5.06604381e-04, c12= 1.49655136e-07 39: functype[86]=LJ_SR, c6= 5.04566357e-04, c12= 2.57128875e-07 39: functype[87]=LJ_SR, c6= 1.04638377e-04, c12= 1.68921392e-08 39: functype[88]=LJ_SR, c6= 1.08571716e-04, c12= 1.40867806e-08 39: functype[89]=LJ_SR, c6= 1.29654107e-03, c12= 6.89035176e-07 39: functype[90]=LJ_SR, c6= 7.20490469e-03, c12= 1.15394714e-05 39: functype[91]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[92]=LJ_SR, c6= 5.60698984e-03, c12= 1.12160897e-05 39: functype[93]=LJ_SR, c6= 1.37763575e-03, c12= 1.00429668e-06 39: functype[94]=LJ_SR, c6= 8.69845692e-03, c12= 2.14014708e-05 39: functype[95]=LJ_SR, c6= 6.04976481e-03, c12= 7.32016997e-06 39: functype[96]=LJ_SR, c6= 6.02542516e-03, c12= 1.25770912e-05 39: functype[97]=LJ_SR, c6= 1.24956947e-03, c12= 8.26254961e-07 39: functype[98]=LJ_SR, c6= 1.29654107e-03, c12= 6.89035176e-07 39: functype[99]=LJ_SR, c6= 1.54830217e-02, c12= 3.37031743e-05 39: functype[100]=BONDS, b0A= 1.01000e-01, cbA= 3.63171e+05, b0B= 1.01000e-01, cbB= 3.63171e+05 39: functype[101]=BONDS, b0A= 1.47100e-01, cbA= 3.07106e+05, b0B= 1.47100e-01, cbB= 3.07106e+05 39: functype[102]=BONDS, b0A= 1.09000e-01, cbA= 2.84512e+05, b0B= 1.09000e-01, cbB= 2.84512e+05 39: functype[103]=BONDS, b0A= 1.52900e-01, cbA= 2.24262e+05, b0B= 1.52900e-01, cbB= 2.24262e+05 39: functype[104]=BONDS, b0A= 1.52200e-01, cbA= 2.65266e+05, b0B= 1.52200e-01, cbB= 2.65266e+05 39: functype[105]=BONDS, b0A= 1.22900e-01, cbA= 4.76976e+05, b0B= 1.22900e-01, cbB= 4.76976e+05 39: functype[106]=BONDS, b0A= 1.33500e-01, cbA= 4.10032e+05, b0B= 1.33500e-01, cbB= 4.10032e+05 39: functype[107]=BONDS, b0A= 1.44900e-01, cbA= 2.82002e+05, b0B= 1.44900e-01, cbB= 2.82002e+05 39: functype[108]=BONDS, b0A= 1.51000e-01, cbA= 2.65266e+05, b0B= 1.51000e-01, cbB= 2.65266e+05 39: functype[109]=BONDS, b0A= 1.40000e-01, cbA= 3.92459e+05, b0B= 1.40000e-01, cbB= 3.92459e+05 39: functype[110]=BONDS, b0A= 1.08000e-01, cbA= 3.07106e+05, b0B= 1.08000e-01, cbB= 3.07106e+05 39: functype[111]=BONDS, b0A= 1.46300e-01, cbA= 2.82002e+05, b0B= 1.46300e-01, cbB= 2.82002e+05 39: functype[112]=BONDS, b0A= 1.34000e-01, cbA= 4.02501e+05, b0B= 1.34000e-01, cbB= 4.02501e+05 39: functype[113]=BONDS, b0A= 1.81000e-01, cbA= 1.85770e+05, b0B= 1.81000e-01, cbB= 1.85770e+05 39: functype[114]=BONDS, b0A= 1.33600e-01, cbA= 2.29283e+05, b0B= 1.33600e-01, cbB= 2.29283e+05 39: functype[115]=BONDS, b0A= 1.25000e-01, cbA= 5.48941e+05, b0B= 1.25000e-01, cbB= 5.48941e+05 39: functype[116]=ANGLES, thA= 1.09500e+02, ctA= 2.92880e+02, thB= 1.09500e+02, ctB= 2.92880e+02 39: functype[117]=ANGLES, thA= 1.11200e+02, ctA= 6.69440e+02, thB= 1.11200e+02, ctB= 6.69440e+02 39: functype[118]=ANGLES, thA= 1.10700e+02, ctA= 3.13800e+02, thB= 1.10700e+02, ctB= 3.13800e+02 39: functype[119]=ANGLES, thA= 1.11100e+02, ctA= 5.27184e+02, thB= 1.11100e+02, ctB= 5.27184e+02 39: functype[120]=ANGLES, thA= 1.12700e+02, ctA= 4.88273e+02, thB= 1.12700e+02, ctB= 4.88273e+02 39: functype[121]=ANGLES, thA= 1.07800e+02, ctA= 2.76144e+02, thB= 1.07800e+02, ctB= 2.76144e+02 39: functype[122]=ANGLES, thA= 1.20400e+02, ctA= 6.69440e+02, thB= 1.20400e+02, ctB= 6.69440e+02 39: functype[123]=ANGLES, thA= 1.16600e+02, ctA= 5.85760e+02, thB= 1.16600e+02, ctB= 5.85760e+02 39: functype[124]=ANGLES, thA= 1.22900e+02, ctA= 6.69440e+02, thB= 1.22900e+02, ctB= 6.69440e+02 39: functype[125]=ANGLES, thA= 1.19800e+02, ctA= 2.92880e+02, thB= 1.19800e+02, ctB= 2.92880e+02 39: functype[126]=ANGLES, thA= 1.21900e+02, ctA= 4.18400e+02, thB= 1.21900e+02, ctB= 4.18400e+02 39: functype[127]=ANGLES, thA= 1.18400e+02, ctA= 3.17984e+02, thB= 1.18400e+02, ctB= 3.17984e+02 39: functype[128]=ANGLES, thA= 1.09700e+02, ctA= 6.69440e+02, thB= 1.09700e+02, ctB= 6.69440e+02 39: functype[129]=ANGLES, thA= 1.10100e+02, ctA= 5.27184e+02, thB= 1.10100e+02, ctB= 5.27184e+02 39: functype[130]=ANGLES, thA= 1.14000e+02, ctA= 5.27184e+02, thB= 1.14000e+02, ctB= 5.27184e+02 39: functype[131]=ANGLES, thA= 1.20000e+02, ctA= 5.85760e+02, thB= 1.20000e+02, ctB= 5.85760e+02 39: functype[132]=ANGLES, thA= 1.20000e+02, ctA= 5.27184e+02, thB= 1.20000e+02, ctB= 5.27184e+02 39: functype[133]=ANGLES, thA= 1.20000e+02, ctA= 2.92880e+02, thB= 1.20000e+02, ctB= 2.92880e+02 39: functype[134]=ANGLES, thA= 1.18400e+02, ctA= 2.92880e+02, thB= 1.18400e+02, ctB= 2.92880e+02 39: functype[135]=ANGLES, thA= 1.23200e+02, ctA= 4.18400e+02, thB= 1.23200e+02, ctB= 4.18400e+02 39: functype[136]=ANGLES, thA= 1.08600e+02, ctA= 4.18400e+02, thB= 1.08600e+02, ctB= 4.18400e+02 39: functype[137]=ANGLES, thA= 9.60000e+01, ctA= 3.68192e+02, thB= 9.60000e+01, ctB= 3.68192e+02 39: functype[138]=ANGLES, thA= 1.17000e+02, ctA= 5.85760e+02, thB= 1.17000e+02, ctB= 5.85760e+02 39: functype[139]=ANGLES, thA= 1.26000e+02, ctA= 6.69440e+02, thB= 1.26000e+02, ctB= 6.69440e+02 39: functype[140]=PDIHS, phiA= 1.80000000e+02, cpA= 4.39319992e+01, phiB= 1.80000000e+02, cpB= 4.39319992e+01, mult=2 39: functype[141]=PDIHS, phiA= 1.80000000e+02, cpA= 4.18400002e+00, phiB= 1.80000000e+02, cpB= 4.18400002e+00, mult=2 39: functype[142]=PDIHS, phiA= 1.80000000e+02, cpA= 4.60239983e+00, phiB= 1.80000000e+02, cpB= 4.60239983e+00, mult=2 39: functype[143]=RBDIHS, rbcA[0]= 5.46010017e-01, rbcA[1]= 1.63803005e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-2.18405008e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 5.46010017e-01, rbcB[1]= 1.63803005e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-2.18405008e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[144]=RBDIHS, rbcA[0]= 7.25920022e-01, rbcA[1]= 2.17776990e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-2.90370011e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 7.25920022e-01, rbcB[1]= 2.17776990e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-2.90370011e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[145]=RBDIHS, rbcA[0]= 1.27611995e+00, rbcA[1]= 1.16734004e+00, rbcA[2]= 8.95380020e-01, rbcA[3]=-3.33884001e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 1.27611995e+00, rbcB[1]= 1.16734004e+00, rbcB[2]= 8.95380020e-01, rbcB[3]=-3.33884001e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[146]=RBDIHS, rbcA[0]=-6.91824007e+00, rbcA[1]= 4.67562008e+00, rbcA[2]= 2.24261999e+00, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-6.91824007e+00, rbcB[1]= 4.67562008e+00, rbcB[2]= 2.24261999e+00, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[147]=RBDIHS, rbcA[0]= 9.70690012e-01, rbcA[1]= 2.91206002e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-3.88275003e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 9.70690012e-01, rbcB[1]= 2.91206002e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-3.88275003e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[148]=RBDIHS, rbcA[0]= 6.27600014e-01, rbcA[1]= 1.88279998e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-2.51040006e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 6.27600014e-01, rbcB[1]= 1.88279998e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-2.51040006e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[149]=RBDIHS, rbcA[0]=-1.58989996e-01, rbcA[1]=-4.76980001e-01, rbcA[2]= 0.00000000e+00, rbcA[3]= 6.35959983e-01, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-1.58989996e-01, rbcB[1]=-4.76980001e-01, rbcB[2]= 0.00000000e+00, rbcB[3]= 6.35959983e-01, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[150]=RBDIHS, rbcA[0]= 1.03637600e+01, rbcA[1]=-6.60654020e+00, rbcA[2]=-1.04934702e+01, rbcA[3]= 6.73623991e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 1.03637600e+01, rbcB[1]=-6.60654020e+00, rbcB[2]=-1.04934702e+01, rbcB[3]= 6.73623991e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[151]=RBDIHS, rbcA[0]= 5.00825024e+00, rbcA[1]=-1.69869995e+00, rbcA[2]=-3.72379988e-01, rbcA[3]=-2.93716002e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 5.00825024e+00, rbcB[1]=-1.69869995e+00, rbcB[2]=-3.72379988e-01, rbcB[3]=-2.93716002e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[152]=RBDIHS, rbcA[0]= 2.92880011e+00, rbcA[1]=-1.46440005e+00, rbcA[2]= 2.09199995e-01, rbcA[3]=-1.67359996e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 2.92880011e+00, rbcB[1]=-1.46440005e+00, rbcB[2]= 2.09199995e-01, rbcB[3]=-1.67359996e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[153]=RBDIHS, rbcA[0]= 5.77183008e+00, rbcA[1]=-2.67147994e+00, rbcA[2]= 9.58140016e-01, rbcA[3]=-4.05847979e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 5.77183008e+00, rbcB[1]=-2.67147994e+00, rbcB[2]= 9.58140016e-01, rbcB[3]=-4.05847979e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[154]=RBDIHS, rbcA[0]= 8.03330004e-01, rbcA[1]= 2.40999007e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-3.21331000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 8.03330004e-01, rbcB[1]= 2.40999007e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-3.21331000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[155]=RBDIHS, rbcA[0]= 2.05016003e+01, rbcA[1]= 0.00000000e+00, rbcA[2]=-2.05016003e+01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 2.05016003e+01, rbcB[1]= 0.00000000e+00, rbcB[2]=-2.05016003e+01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[156]=RBDIHS, rbcA[0]= 3.02879791e+01, rbcA[1]=-4.81160021e+00, rbcA[2]=-2.54763794e+01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.02879791e+01, rbcB[1]=-4.81160021e+00, rbcB[2]=-2.54763794e+01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[157]=RBDIHS, rbcA[0]= 2.54763794e+01, rbcA[1]= 0.00000000e+00, rbcA[2]=-2.54763794e+01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 2.54763794e+01, rbcB[1]= 0.00000000e+00, rbcB[2]=-2.54763794e+01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[158]=RBDIHS, rbcA[0]= 1.57025499e+01, rbcA[1]= 3.17565594e+01, rbcA[2]=-3.66935992e+00, rbcA[3]=-4.37897491e+01, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 1.57025499e+01, rbcB[1]= 3.17565594e+01, rbcB[2]=-3.66935992e+00, rbcB[3]=-4.37897491e+01, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[159]=RBDIHS, rbcA[0]=-1.03574896e+01, rbcA[1]=-2.95871601e+01, rbcA[2]=-1.16734004e+00, rbcA[3]= 4.11119919e+01, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-1.03574896e+01, rbcB[1]=-2.95871601e+01, rbcB[2]=-1.16734004e+00, rbcB[3]= 4.11119919e+01, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[160]=RBDIHS, rbcA[0]= 4.50198984e+00, rbcA[1]= 7.82410026e-01, rbcA[2]=-1.60247004e+00, rbcA[3]=-3.68192005e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 4.50198984e+00, rbcB[1]= 7.82410026e-01, rbcB[2]=-1.60247004e+00, rbcB[3]=-3.68192005e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[161]=RBDIHS, rbcA[0]= 4.22589988e-01, rbcA[1]= 2.70705009e+00, rbcA[2]=-3.12964010e+00, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 4.22589988e-01, rbcB[1]= 2.70705009e+00, rbcB[2]=-3.12964010e+00, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[162]=RBDIHS, rbcA[0]=-7.65670002e-01, rbcA[1]= 2.70705009e+00, rbcA[2]= 4.02501011e+00, rbcA[3]=-5.96639013e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-7.65670002e-01, rbcB[1]= 2.70705009e+00, rbcB[2]= 4.02501011e+00, rbcB[3]=-5.96639013e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[163]=RBDIHS, rbcA[0]= 9.66499984e-01, rbcA[1]= 2.89950991e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-3.86600995e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 9.66499984e-01, rbcB[1]= 2.89950991e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-3.86600995e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[164]=RBDIHS, rbcA[0]=-4.23421001e+00, rbcA[1]= 7.22159004e+00, rbcA[2]= 1.90789998e+00, rbcA[3]=-4.89527988e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-4.23421001e+00, rbcB[1]= 7.22159004e+00, rbcB[2]= 1.90789998e+00, rbcB[3]=-4.89527988e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[165]=RBDIHS, rbcA[0]= 3.03339996e+01, rbcA[1]= 0.00000000e+00, rbcA[2]=-3.03339996e+01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.03339996e+01, rbcB[1]= 0.00000000e+00, rbcB[2]=-3.03339996e+01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[166]=RBDIHS, rbcA[0]= 1.02319698e+01, rbcA[1]= 3.52082992e+00, rbcA[2]=-3.97899008e+00, rbcA[3]=-9.77381992e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 1.02319698e+01, rbcB[1]= 3.52082992e+00, rbcB[2]=-3.97899008e+00, rbcB[3]=-9.77381992e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[167]=RBDIHS, rbcA[0]= 5.49777985e+00, rbcA[1]= 1.41838002e+00, rbcA[2]=-6.91615009e+00, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 5.49777985e+00, rbcB[1]= 1.41838002e+00, rbcB[2]=-6.91615009e+00, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[168]=RBDIHS, rbcA[0]=-1.21755004e+00, rbcA[1]=-3.65264010e+00, rbcA[2]= 0.00000000e+00, rbcA[3]= 4.87018013e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-1.21755004e+00, rbcB[1]=-3.65264010e+00, rbcB[2]= 0.00000000e+00, rbcB[3]= 4.87018013e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[169]=RBDIHS, rbcA[0]=-1.26775002e+00, rbcA[1]= 3.02084994e+00, rbcA[2]= 1.74473000e+00, rbcA[3]=-3.49781990e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-1.26775002e+00, rbcB[1]= 3.02084994e+00, rbcB[2]= 1.74473000e+00, rbcB[3]=-3.49781990e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[170]=RBDIHS, rbcA[0]= 3.80117011e+00, rbcA[1]=-6.95172024e+00, rbcA[2]=-1.01671004e+00, rbcA[3]= 4.16726017e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.80117011e+00, rbcB[1]=-6.95172024e+00, rbcB[2]=-1.01671004e+00, rbcB[3]= 4.16726017e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[171]=RBDIHS, rbcA[0]= 3.70279998e-01, rbcA[1]= 1.11085999e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-1.48114002e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.70279998e-01, rbcB[1]= 1.11085999e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-1.48114002e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[172]=RBDIHS, rbcA[0]= 3.32042198e+01, rbcA[1]= 0.00000000e+00, rbcA[2]=-3.32042198e+01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.32042198e+01, rbcB[1]= 0.00000000e+00, rbcB[2]=-3.32042198e+01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[173]=RBDIHS, rbcA[0]= 1.63176003e+01, rbcA[1]= 0.00000000e+00, rbcA[2]=-1.63176003e+01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 1.63176003e+01, rbcB[1]= 0.00000000e+00, rbcB[2]=-1.63176003e+01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[174]=RBDIHS, rbcA[0]= 3.40787005e+00, rbcA[1]=-2.80537009e+00, rbcA[2]=-3.59820008e-01, rbcA[3]=-2.42670000e-01, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.40787005e+00, rbcB[1]=-2.80537009e+00, rbcB[2]=-3.59820008e-01, rbcB[3]=-2.42670000e-01, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[175]=RBDIHS, rbcA[0]=-1.62590199e+01, rbcA[1]= 9.08765030e+00, rbcA[2]= 7.17138004e+00, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-1.62590199e+01, rbcB[1]= 9.08765030e+00, rbcB[2]= 7.17138004e+00, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[176]=RBDIHS, rbcA[0]= 9.45590019e-01, rbcA[1]= 2.83675003e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-3.78234005e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 9.45590019e-01, rbcB[1]= 2.83675003e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-3.78234005e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[177]=RBDIHS, rbcA[0]=-1.50624001e+00, rbcA[1]= 5.37225008e+00, rbcA[2]= 1.17989004e+00, rbcA[3]=-5.04589987e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-1.50624001e+00, rbcB[1]= 5.37225008e+00, rbcB[2]= 1.17989004e+00, rbcB[3]=-5.04589987e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[178]=RBDIHS, rbcA[0]= 1.00416005e+00, rbcA[1]= 3.01248002e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-4.01664019e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 1.00416005e+00, rbcB[1]= 3.01248002e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-4.01664019e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[179]=RBDIHS, rbcA[0]= 8.79267979e+00, rbcA[1]=-1.18344402e+01, rbcA[2]= 1.07528996e+00, rbcA[3]= 1.96648002e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 8.79267979e+00, rbcB[1]=-1.18344402e+01, rbcB[2]= 1.07528996e+00, rbcB[3]= 1.96648002e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[180]=RBDIHS, rbcA[0]=-5.77392006e+00, rbcA[1]= 3.38485003e+00, rbcA[2]= 2.38906002e+00, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-5.77392006e+00, rbcB[1]= 3.38485003e+00, rbcB[2]= 2.38906002e+00, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[181]=RBDIHS, rbcA[0]=-9.08345985e+00, rbcA[1]= 9.75708961e+00, rbcA[2]= 3.45180011e+00, rbcA[3]=-4.12542009e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-9.08345985e+00, rbcB[1]= 9.75708961e+00, rbcB[2]= 3.45180011e+00, rbcB[3]=-4.12542009e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[182]=RBDIHS, rbcA[0]=-4.70699996e-01, rbcA[1]=-1.41209996e+00, rbcA[2]= 0.00000000e+00, rbcA[3]= 1.88279998e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-4.70699996e-01, rbcB[1]=-1.41209996e+00, rbcB[2]= 0.00000000e+00, rbcB[3]= 1.88279998e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[183]=RBDIHS, rbcA[0]= 3.43088007e+00, rbcA[1]= 0.00000000e+00, rbcA[2]=-3.43088007e+00, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.43088007e+00, rbcB[1]= 0.00000000e+00, rbcB[2]=-3.43088007e+00, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[184]=RBDIHS, rbcA[0]= 2.57315993e+00, rbcA[1]= 3.49781990e+00, rbcA[2]=-1.10038996e+00, rbcA[3]=-4.97059011e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 2.57315993e+00, rbcB[1]= 3.49781990e+00, rbcB[2]=-1.10038996e+00, rbcB[3]=-4.97059011e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[185]=RBDIHS, rbcA[0]=-8.22160006e-01, rbcA[1]= 1.12758994e+00, rbcA[2]=-3.05440009e-01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-8.22160006e-01, rbcB[1]= 1.12758994e+00, rbcB[2]=-3.05440009e-01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[186]=LJ14, c6A= 3.20536114e-04, c12A= 1.71928207e-07, c6B= 3.20536114e-04, c12B= 1.71928207e-07 39: functype[187]=LJ14, c6A= 1.30458479e-03, c12A= 1.92011203e-06, c6B= 1.30458479e-03, c12B= 1.92011203e-06 39: functype[188]=LJ14, c6A= 1.40760513e-03, c12A= 1.25315830e-06, c6B= 1.40760513e-03, c12B= 1.25315830e-06 39: functype[189]=LJ14, c6A= 1.67637295e-03, c12A= 1.97547138e-06, c6B= 1.67637295e-03, c12B= 1.97547138e-06 39: functype[190]=LJ14, c6A= 0.00000000e+00, c12A= 0.00000000e+00, c6B= 0.00000000e+00, c12B= 0.00000000e+00 39: functype[191]=LJ14, c6A= 2.49447097e-04, c12A= 1.67110088e-07, c6B= 2.49447097e-04, c12B= 1.67110088e-07 39: functype[192]=LJ14, c6A= 1.01525197e-03, c12A= 1.86630257e-06, c6B= 1.01525197e-03, c12B= 1.86630257e-06 39: functype[193]=LJ14, c6A= 6.12890653e-05, c12A= 1.49631507e-08, c6B= 6.12890653e-05, c12B= 1.49631507e-08 39: functype[194]=LJ14, c6A= 2.69145414e-04, c12A= 1.09064160e-07, c6B= 2.69145414e-04, c12B= 1.09064160e-07 39: functype[195]=LJ14, c6A= 1.09542510e-03, c12A= 1.21804135e-06, c6B= 1.09542510e-03, c12B= 1.21804135e-06 39: functype[196]=LJ14, c6A= 3.86982108e-04, c12A= 3.18863499e-07, c6B= 3.86982108e-04, c12B= 3.18863499e-07 39: functype[197]=LJ14, c6A= 1.57502061e-03, c12A= 3.56110013e-06, c6B= 1.57502061e-03, c12B= 3.56110013e-06 39: functype[198]=LJ14, c6A= 2.44342256e-03, c12A= 6.79494860e-06, c6B= 2.44342256e-03, c12B= 6.79494860e-06 39: functype[199]=LJ14, c6A= 1.40194211e-03, c12A= 2.15310411e-06, c6B= 1.40194211e-03, c12B= 2.15310411e-06 39: functype[200]=LJ14, c6A= 1.09101785e-03, c12A= 2.09276800e-06, c6B= 1.09101785e-03, c12B= 2.09276800e-06 39: functype[201]=LJ14, c6A= 2.68062693e-04, c12A= 1.87387855e-07, c6B= 2.68062693e-04, c12B= 1.87387855e-07 39: functype[202]=LJ14, c6A= 2.26258271e-04, c12A= 1.37484790e-07, c6B= 2.26258271e-04, c12B= 1.37484790e-07 39: functype[203]=LJ14, c6A= 2.43143426e-04, c12A= 1.54167822e-07, c6B= 2.43143426e-04, c12B= 1.54167822e-07 39: functype[204]=LJ14, c6A= 1.17243768e-03, c12A= 2.34671188e-06, c6B= 1.17243768e-03, c12B= 2.34671188e-06 39: functype[205]=LJ14, c6A= 1.69256027e-03, c12A= 3.99321743e-06, c6B= 1.69256027e-03, c12B= 3.99321743e-06 39: functype[206]=LJ14, c6A= 5.04237469e-05, c12A= 1.01280841e-08, c6B= 5.04237469e-05, c12B= 1.01280841e-08 39: functype[207]=LJ14, c6A= 2.34763342e-04, c12A= 1.14652082e-07, c6B= 2.34763342e-04, c12B= 1.14652082e-07 39: functype[208]=LJ14, c6A= 5.76812672e-05, c12A= 1.02660236e-08, c6B= 5.76812672e-05, c12B= 1.02660236e-08 39: functype[209]=LJ14, c6A= 3.60245234e-03, c12A= 5.76973571e-06, c6B= 3.60245234e-03, c12B= 5.76973571e-06 39: functype[210]=LJ14, c6A= 6.88817876e-04, c12A= 5.02148339e-07, c6B= 6.88817876e-04, c12B= 5.02148339e-07 39: functype[211]=LJ14, c6A= 4.34922846e-03, c12A= 1.07007354e-05, c6B= 4.34922846e-03, c12B= 1.07007354e-05 39: reppow = 12 39: fudgeQQ = 0.5 39: cmap 39: atomtypes: 39: atomtype[ 0]={atomnumber= 7} 39: atomtype[ 1]={atomnumber= 1} 39: atomtype[ 2]={atomnumber= 6} 39: atomtype[ 3]={atomnumber= 1} 39: atomtype[ 4]={atomnumber= 6} 39: atomtype[ 5]={atomnumber= 8} 39: atomtype[ 6]={atomnumber= 6} 39: atomtype[ 7]={atomnumber= 1} 39: atomtype[ 8]={atomnumber= 6} 39: atomtype[ 9]={atomnumber= 16} 39: moltype (0): 39: name="Protein_chain_B" 39: atoms: 39: atom (156): 39: atom[ 0]={type= 0, typeB= 0, ptype= Atom, m= 1.40027e+01, q=-3.00000e-01, mB= 1.40027e+01, qB=-3.00000e-01, resind= 0, atomnumber= 7} 39: atom[ 1]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.30000e-01, mB= 1.00800e+00, qB= 3.30000e-01, resind= 0, atomnumber= 1} 39: atom[ 2]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.30000e-01, mB= 1.00800e+00, qB= 3.30000e-01, resind= 0, atomnumber= 1} 39: atom[ 3]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.30000e-01, mB= 1.00800e+00, qB= 3.30000e-01, resind= 0, atomnumber= 1} 39: atom[ 4]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 2.50000e-01, mB= 1.20110e+01, qB= 2.50000e-01, resind= 0, atomnumber= 6} 39: atom[ 5]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 6]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.20000e-01, mB= 1.20110e+01, qB=-1.20000e-01, resind= 0, atomnumber= 6} 39: atom[ 7]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 8]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 9]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.20000e-01, mB= 1.20110e+01, qB=-1.20000e-01, resind= 0, atomnumber= 6} 39: atom[ 10]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 11]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 12]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.20000e-01, mB= 1.20110e+01, qB=-1.20000e-01, resind= 0, atomnumber= 6} 39: atom[ 13]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 14]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 15]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.90000e-01, mB= 1.20110e+01, qB= 1.90000e-01, resind= 0, atomnumber= 6} 39: atom[ 16]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 17]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 18]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-3.00000e-01, mB= 1.40067e+01, qB=-3.00000e-01, resind= 0, atomnumber= 7} 39: atom[ 19]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.30000e-01, mB= 1.00800e+00, qB= 3.30000e-01, resind= 0, atomnumber= 1} 39: atom[ 20]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.30000e-01, mB= 1.00800e+00, qB= 3.30000e-01, resind= 0, atomnumber= 1} 39: atom[ 21]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.30000e-01, mB= 1.00800e+00, qB= 3.30000e-01, resind= 0, atomnumber= 1} 39: atom[ 22]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 0, atomnumber= 6} 39: atom[ 23]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 0, atomnumber= 8} 39: atom[ 24]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 1, atomnumber= 7} 39: atom[ 25]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 1, atomnumber= 1} 39: atom[ 26]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 1, atomnumber= 6} 39: atom[ 27]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 28]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-6.00000e-02, mB= 1.20110e+01, qB=-6.00000e-02, resind= 1, atomnumber= 6} 39: atom[ 29]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 30]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.80000e-01, mB= 1.20110e+01, qB=-1.80000e-01, resind= 1, atomnumber= 6} 39: atom[ 31]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 32]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 33]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 34]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.80000e-01, mB= 1.20110e+01, qB=-1.80000e-01, resind= 1, atomnumber= 6} 39: atom[ 35]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 36]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 37]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 38]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 1, atomnumber= 6} 39: atom[ 39]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 1, atomnumber= 8} 39: atom[ 40]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 2, atomnumber= 7} 39: atom[ 41]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 2, atomnumber= 1} 39: atom[ 42]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 2, atomnumber= 6} 39: atom[ 43]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 2, atomnumber= 1} 39: atom[ 44]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-5.00000e-03, mB= 1.20110e+01, qB=-5.00000e-03, resind= 2, atomnumber= 6} 39: atom[ 45]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 2, atomnumber= 1} 39: atom[ 46]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 2, atomnumber= 1} 39: atom[ 47]={type= 6, typeB= 6, ptype= Atom, m= 1.20110e+01, q=-1.15000e-01, mB= 1.20110e+01, qB=-1.15000e-01, resind= 2, atomnumber= 6} 39: atom[ 48]={type= 6, typeB= 6, ptype= Atom, m= 1.20110e+01, q=-1.15000e-01, mB= 1.20110e+01, qB=-1.15000e-01, resind= 2, atomnumber= 6} 39: atom[ 49]={type= 7, typeB= 7, ptype= Atom, m= 1.00800e+00, q= 1.15000e-01, mB= 1.00800e+00, qB= 1.15000e-01, resind= 2, atomnumber= 1} 39: atom[ 50]={type= 6, typeB= 6, ptype= Atom, m= 1.20110e+01, q=-1.15000e-01, mB= 1.20110e+01, qB=-1.15000e-01, resind= 2, atomnumber= 6} 39: atom[ 51]={type= 7, typeB= 7, ptype= Atom, m= 1.00800e+00, q= 1.15000e-01, mB= 1.00800e+00, qB= 1.15000e-01, resind= 2, atomnumber= 1} 39: atom[ 52]={type= 6, typeB= 6, ptype= Atom, m= 1.20110e+01, q=-1.15000e-01, mB= 1.20110e+01, qB=-1.15000e-01, resind= 2, atomnumber= 6} 39: atom[ 53]={type= 7, typeB= 7, ptype= Atom, m= 1.00800e+00, q= 1.15000e-01, mB= 1.00800e+00, qB= 1.15000e-01, resind= 2, atomnumber= 1} 39: atom[ 54]={type= 6, typeB= 6, ptype= Atom, m= 1.20110e+01, q=-1.15000e-01, mB= 1.20110e+01, qB=-1.15000e-01, resind= 2, atomnumber= 6} 39: atom[ 55]={type= 7, typeB= 7, ptype= Atom, m= 1.00800e+00, q= 1.15000e-01, mB= 1.00800e+00, qB= 1.15000e-01, resind= 2, atomnumber= 1} 39: atom[ 56]={type= 6, typeB= 6, ptype= Atom, m= 1.20110e+01, q=-1.15000e-01, mB= 1.20110e+01, qB=-1.15000e-01, resind= 2, atomnumber= 6} 39: atom[ 57]={type= 7, typeB= 7, ptype= Atom, m= 1.00800e+00, q= 1.15000e-01, mB= 1.00800e+00, qB= 1.15000e-01, resind= 2, atomnumber= 1} 39: atom[ 58]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 2, atomnumber= 6} 39: atom[ 59]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 2, atomnumber= 8} 39: atom[ 60]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 3, atomnumber= 7} 39: atom[ 61]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 3, atomnumber= 1} 39: atom[ 62]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 8.00000e-02, mB= 1.20110e+01, qB= 8.00000e-02, resind= 3, atomnumber= 6} 39: atom[ 63]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 3, atomnumber= 1} 39: atom[ 64]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 3, atomnumber= 1} 39: atom[ 65]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 3, atomnumber= 6} 39: atom[ 66]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 3, atomnumber= 8} 39: atom[ 67]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 4, atomnumber= 7} 39: atom[ 68]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 4, atomnumber= 1} 39: atom[ 69]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 4, atomnumber= 6} 39: atom[ 70]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 71]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.20000e-01, mB= 1.20110e+01, qB=-1.20000e-01, resind= 4, atomnumber= 6} 39: atom[ 72]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 73]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 74]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-5.00000e-02, mB= 1.20110e+01, qB=-5.00000e-02, resind= 4, atomnumber= 6} 39: atom[ 75]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 76]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 77]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.90000e-01, mB= 1.20110e+01, qB= 1.90000e-01, resind= 4, atomnumber= 6} 39: atom[ 78]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 79]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 80]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-7.00000e-01, mB= 1.40067e+01, qB=-7.00000e-01, resind= 4, atomnumber= 7} 39: atom[ 81]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 4.40000e-01, mB= 1.00800e+00, qB= 4.40000e-01, resind= 4, atomnumber= 1} 39: atom[ 82]={type= 8, typeB= 8, ptype= Atom, m= 1.20110e+01, q= 6.40000e-01, mB= 1.20110e+01, qB= 6.40000e-01, resind= 4, atomnumber= 6} 39: atom[ 83]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-8.00000e-01, mB= 1.40067e+01, qB=-8.00000e-01, resind= 4, atomnumber= 7} 39: atom[ 84]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 4.60000e-01, mB= 1.00800e+00, qB= 4.60000e-01, resind= 4, atomnumber= 1} 39: atom[ 85]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 4.60000e-01, mB= 1.00800e+00, qB= 4.60000e-01, resind= 4, atomnumber= 1} 39: atom[ 86]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-8.00000e-01, mB= 1.40067e+01, qB=-8.00000e-01, resind= 4, atomnumber= 7} 39: atom[ 87]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 4.60000e-01, mB= 1.00800e+00, qB= 4.60000e-01, resind= 4, atomnumber= 1} 39: atom[ 88]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 4.60000e-01, mB= 1.00800e+00, qB= 4.60000e-01, resind= 4, atomnumber= 1} 39: atom[ 89]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 4, atomnumber= 6} 39: atom[ 90]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 4, atomnumber= 8} 39: atom[ 91]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 5, atomnumber= 7} 39: atom[ 92]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 5, atomnumber= 1} 39: atom[ 93]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 5, atomnumber= 6} 39: atom[ 94]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 5, atomnumber= 1} 39: atom[ 95]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 6.00000e-02, mB= 1.20110e+01, qB= 6.00000e-02, resind= 5, atomnumber= 6} 39: atom[ 96]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 5, atomnumber= 1} 39: atom[ 97]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 5, atomnumber= 1} 39: atom[ 98]={type= 9, typeB= 9, ptype= Atom, m= 3.20600e+01, q=-3.35000e-01, mB= 3.20600e+01, qB=-3.35000e-01, resind= 5, atomnumber= 16} 39: atom[ 99]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 1.55000e-01, mB= 1.00800e+00, qB= 1.55000e-01, resind= 5, atomnumber= 1} 39: atom[ 100]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 5, atomnumber= 6} 39: atom[ 101]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 5, atomnumber= 8} 39: atom[ 102]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 6, atomnumber= 7} 39: atom[ 103]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 6, atomnumber= 1} 39: atom[ 104]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 6, atomnumber= 6} 39: atom[ 105]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 6, atomnumber= 1} 39: atom[ 106]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.20000e-01, mB= 1.20110e+01, qB=-1.20000e-01, resind= 6, atomnumber= 6} 39: atom[ 107]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 6, atomnumber= 1} 39: atom[ 108]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 6, atomnumber= 1} 39: atom[ 109]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-2.20000e-01, mB= 1.20110e+01, qB=-2.20000e-01, resind= 6, atomnumber= 6} 39: atom[ 110]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 6, atomnumber= 1} 39: atom[ 111]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 6, atomnumber= 1} 39: atom[ 112]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 7.00000e-01, mB= 1.20110e+01, qB= 7.00000e-01, resind= 6, atomnumber= 6} 39: atom[ 113]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-8.00000e-01, mB= 1.59994e+01, qB=-8.00000e-01, resind= 6, atomnumber= 8} 39: atom[ 114]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-8.00000e-01, mB= 1.59994e+01, qB=-8.00000e-01, resind= 6, atomnumber= 8} 39: atom[ 115]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 6, atomnumber= 6} 39: atom[ 116]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 6, atomnumber= 8} 39: atom[ 117]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 7, atomnumber= 7} 39: atom[ 118]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 7, atomnumber= 1} 39: atom[ 119]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 7, atomnumber= 6} 39: atom[ 120]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 121]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.20000e-01, mB= 1.20110e+01, qB=-1.20000e-01, resind= 7, atomnumber= 6} 39: atom[ 122]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 123]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 124]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-6.00000e-02, mB= 1.20110e+01, qB=-6.00000e-02, resind= 7, atomnumber= 6} 39: atom[ 125]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 126]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.80000e-01, mB= 1.20110e+01, qB=-1.80000e-01, resind= 7, atomnumber= 6} 39: atom[ 127]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 128]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 129]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 130]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.80000e-01, mB= 1.20110e+01, qB=-1.80000e-01, resind= 7, atomnumber= 6} 39: atom[ 131]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 132]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 133]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 134]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 7, atomnumber= 6} 39: atom[ 135]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 7, atomnumber= 8} 39: atom[ 136]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 8, atomnumber= 7} 39: atom[ 137]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 8, atomnumber= 1} 39: atom[ 138]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 8, atomnumber= 6} 39: atom[ 139]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 8, atomnumber= 1} 39: atom[ 140]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.80000e-01, mB= 1.20110e+01, qB=-1.80000e-01, resind= 8, atomnumber= 6} 39: atom[ 141]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 8, atomnumber= 1} 39: atom[ 142]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 8, atomnumber= 1} 39: atom[ 143]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 8, atomnumber= 1} 39: atom[ 144]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 8, atomnumber= 6} 39: atom[ 145]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 8, atomnumber= 8} 39: atom[ 146]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 9, atomnumber= 7} 39: atom[ 147]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 9, atomnumber= 1} 39: atom[ 148]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 9, atomnumber= 6} 39: atom[ 149]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 9, atomnumber= 1} 39: atom[ 150]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.80000e-01, mB= 1.20110e+01, qB=-1.80000e-01, resind= 9, atomnumber= 6} 39: atom[ 151]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 9, atomnumber= 1} 39: atom[ 152]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 9, atomnumber= 1} 39: atom[ 153]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 9, atomnumber= 1} 39: atom[ 154]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 9, atomnumber= 6} 39: atom[ 155]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 9, atomnumber= 8} 39: atom (156): 39: atom[0]={name="N"} 39: atom[1]={name="H1"} 39: atom[2]={name="H2"} 39: atom[3]={name="H3"} 39: atom[4]={name="CA"} 39: atom[5]={name="HA"} 39: atom[6]={name="CB"} 39: atom[7]={name="HB1"} 39: atom[8]={name="HB2"} 39: atom[9]={name="CG"} 39: atom[10]={name="HG1"} 39: atom[11]={name="HG2"} 39: atom[12]={name="CD"} 39: atom[13]={name="HD1"} 39: atom[14]={name="HD2"} 39: atom[15]={name="CE"} 39: atom[16]={name="HE1"} 39: atom[17]={name="HE2"} 39: atom[18]={name="NZ"} 39: atom[19]={name="HZ1"} 39: atom[20]={name="HZ2"} 39: atom[21]={name="HZ3"} 39: atom[22]={name="C"} 39: atom[23]={name="O"} 39: atom[24]={name="N"} 39: atom[25]={name="H"} 39: atom[26]={name="CA"} 39: atom[27]={name="HA"} 39: atom[28]={name="CB"} 39: atom[29]={name="HB"} 39: atom[30]={name="CG1"} 39: atom[31]={name="HG11"} 39: atom[32]={name="HG12"} 39: atom[33]={name="HG13"} 39: atom[34]={name="CG2"} 39: atom[35]={name="HG21"} 39: atom[36]={name="HG22"} 39: atom[37]={name="HG23"} 39: atom[38]={name="C"} 39: atom[39]={name="O"} 39: atom[40]={name="N"} 39: atom[41]={name="H"} 39: atom[42]={name="CA"} 39: atom[43]={name="HA"} 39: atom[44]={name="CB"} 39: atom[45]={name="HB1"} 39: atom[46]={name="HB2"} 39: atom[47]={name="CG"} 39: atom[48]={name="CD1"} 39: atom[49]={name="HD1"} 39: atom[50]={name="CD2"} 39: atom[51]={name="HD2"} 39: atom[52]={name="CE1"} 39: atom[53]={name="HE1"} 39: atom[54]={name="CE2"} 39: atom[55]={name="HE2"} 39: atom[56]={name="CZ"} 39: atom[57]={name="HZ"} 39: atom[58]={name="C"} 39: atom[59]={name="O"} 39: atom[60]={name="N"} 39: atom[61]={name="H"} 39: atom[62]={name="CA"} 39: atom[63]={name="HA1"} 39: atom[64]={name="HA2"} 39: atom[65]={name="C"} 39: atom[66]={name="O"} 39: atom[67]={name="N"} 39: atom[68]={name="H"} 39: atom[69]={name="CA"} 39: atom[70]={name="HA"} 39: atom[71]={name="CB"} 39: atom[72]={name="HB1"} 39: atom[73]={name="HB2"} 39: atom[74]={name="CG"} 39: atom[75]={name="HG1"} 39: atom[76]={name="HG2"} 39: atom[77]={name="CD"} 39: atom[78]={name="HD1"} 39: atom[79]={name="HD2"} 39: atom[80]={name="NE"} 39: atom[81]={name="HE"} 39: atom[82]={name="CZ"} 39: atom[83]={name="NH1"} 39: atom[84]={name="HH11"} 39: atom[85]={name="HH12"} 39: atom[86]={name="NH2"} 39: atom[87]={name="HH21"} 39: atom[88]={name="HH22"} 39: atom[89]={name="C"} 39: atom[90]={name="O"} 39: atom[91]={name="N"} 39: atom[92]={name="H"} 39: atom[93]={name="CA"} 39: atom[94]={name="HA"} 39: atom[95]={name="CB"} 39: atom[96]={name="HB1"} 39: atom[97]={name="HB2"} 39: atom[98]={name="SG"} 39: atom[99]={name="HG"} 39: atom[100]={name="C"} 39: atom[101]={name="O"} 39: atom[102]={name="N"} 39: atom[103]={name="H"} 39: atom[104]={name="CA"} 39: atom[105]={name="HA"} 39: atom[106]={name="CB"} 39: atom[107]={name="HB1"} 39: atom[108]={name="HB2"} 39: atom[109]={name="CG"} 39: atom[110]={name="HG1"} 39: atom[111]={name="HG2"} 39: atom[112]={name="CD"} 39: atom[113]={name="OE1"} 39: atom[114]={name="OE2"} 39: atom[115]={name="C"} 39: atom[116]={name="O"} 39: atom[117]={name="N"} 39: atom[118]={name="H"} 39: atom[119]={name="CA"} 39: atom[120]={name="HA"} 39: atom[121]={name="CB"} 39: atom[122]={name="HB1"} 39: atom[123]={name="HB2"} 39: atom[124]={name="CG"} 39: atom[125]={name="HG"} 39: atom[126]={name="CD1"} 39: atom[127]={name="HD11"} 39: atom[128]={name="HD12"} 39: atom[129]={name="HD13"} 39: atom[130]={name="CD2"} 39: atom[131]={name="HD21"} 39: atom[132]={name="HD22"} 39: atom[133]={name="HD23"} 39: atom[134]={name="C"} 39: atom[135]={name="O"} 39: atom[136]={name="N"} 39: atom[137]={name="H"} 39: atom[138]={name="CA"} 39: atom[139]={name="HA"} 39: atom[140]={name="CB"} 39: atom[141]={name="HB1"} 39: atom[142]={name="HB2"} 39: atom[143]={name="HB3"} 39: atom[144]={name="C"} 39: atom[145]={name="O"} 39: atom[146]={name="N"} 39: atom[147]={name="H"} 39: atom[148]={name="CA"} 39: atom[149]={name="HA"} 39: atom[150]={name="CB"} 39: atom[151]={name="HB1"} 39: atom[152]={name="HB2"} 39: atom[153]={name="HB3"} 39: atom[154]={name="C"} 39: atom[155]={name="O"} 39: type (156): 39: type[0]={name="opls_287",nameB="opls_287"} 39: type[1]={name="opls_290",nameB="opls_290"} 39: type[2]={name="opls_290",nameB="opls_290"} 39: type[3]={name="opls_290",nameB="opls_290"} 39: type[4]={name="opls_293B",nameB="opls_293B"} 39: type[5]={name="opls_140",nameB="opls_140"} 39: type[6]={name="opls_136",nameB="opls_136"} 39: type[7]={name="opls_140",nameB="opls_140"} 39: type[8]={name="opls_140",nameB="opls_140"} 39: type[9]={name="opls_136",nameB="opls_136"} 39: type[10]={name="opls_140",nameB="opls_140"} 39: type[11]={name="opls_140",nameB="opls_140"} 39: type[12]={name="opls_136",nameB="opls_136"} 39: type[13]={name="opls_140",nameB="opls_140"} 39: type[14]={name="opls_140",nameB="opls_140"} 39: type[15]={name="opls_292",nameB="opls_292"} 39: type[16]={name="opls_140",nameB="opls_140"} 39: type[17]={name="opls_140",nameB="opls_140"} 39: type[18]={name="opls_287",nameB="opls_287"} 39: type[19]={name="opls_290",nameB="opls_290"} 39: type[20]={name="opls_290",nameB="opls_290"} 39: type[21]={name="opls_290",nameB="opls_290"} 39: type[22]={name="opls_235",nameB="opls_235"} 39: type[23]={name="opls_236",nameB="opls_236"} 39: type[24]={name="opls_238",nameB="opls_238"} 39: type[25]={name="opls_241",nameB="opls_241"} 39: type[26]={name="opls_224B",nameB="opls_224B"} 39: type[27]={name="opls_140",nameB="opls_140"} 39: type[28]={name="opls_137",nameB="opls_137"} 39: type[29]={name="opls_140",nameB="opls_140"} 39: type[30]={name="opls_135",nameB="opls_135"} 39: type[31]={name="opls_140",nameB="opls_140"} 39: type[32]={name="opls_140",nameB="opls_140"} 39: type[33]={name="opls_140",nameB="opls_140"} 39: type[34]={name="opls_135",nameB="opls_135"} 39: type[35]={name="opls_140",nameB="opls_140"} 39: type[36]={name="opls_140",nameB="opls_140"} 39: type[37]={name="opls_140",nameB="opls_140"} 39: type[38]={name="opls_235",nameB="opls_235"} 39: type[39]={name="opls_236",nameB="opls_236"} 39: type[40]={name="opls_238",nameB="opls_238"} 39: type[41]={name="opls_241",nameB="opls_241"} 39: type[42]={name="opls_224B",nameB="opls_224B"} 39: type[43]={name="opls_140",nameB="opls_140"} 39: type[44]={name="opls_149",nameB="opls_149"} 39: type[45]={name="opls_140",nameB="opls_140"} 39: type[46]={name="opls_140",nameB="opls_140"} 39: type[47]={name="opls_145",nameB="opls_145"} 39: type[48]={name="opls_145",nameB="opls_145"} 39: type[49]={name="opls_146",nameB="opls_146"} 39: type[50]={name="opls_145",nameB="opls_145"} 39: type[51]={name="opls_146",nameB="opls_146"} 39: type[52]={name="opls_145",nameB="opls_145"} 39: type[53]={name="opls_146",nameB="opls_146"} 39: type[54]={name="opls_145",nameB="opls_145"} 39: type[55]={name="opls_146",nameB="opls_146"} 39: type[56]={name="opls_145",nameB="opls_145"} 39: type[57]={name="opls_146",nameB="opls_146"} 39: type[58]={name="opls_235",nameB="opls_235"} 39: type[59]={name="opls_236",nameB="opls_236"} 39: type[60]={name="opls_238",nameB="opls_238"} 39: type[61]={name="opls_241",nameB="opls_241"} 39: type[62]={name="opls_223B",nameB="opls_223B"} 39: type[63]={name="opls_140",nameB="opls_140"} 39: type[64]={name="opls_140",nameB="opls_140"} 39: type[65]={name="opls_235",nameB="opls_235"} 39: type[66]={name="opls_236",nameB="opls_236"} 39: type[67]={name="opls_238",nameB="opls_238"} 39: type[68]={name="opls_241",nameB="opls_241"} 39: type[69]={name="opls_224B",nameB="opls_224B"} 39: type[70]={name="opls_140",nameB="opls_140"} 39: type[71]={name="opls_136",nameB="opls_136"} 39: type[72]={name="opls_140",nameB="opls_140"} 39: type[73]={name="opls_140",nameB="opls_140"} 39: type[74]={name="opls_308",nameB="opls_308"} 39: type[75]={name="opls_140",nameB="opls_140"} 39: type[76]={name="opls_140",nameB="opls_140"} 39: type[77]={name="opls_307",nameB="opls_307"} 39: type[78]={name="opls_140",nameB="opls_140"} 39: type[79]={name="opls_140",nameB="opls_140"} 39: type[80]={name="opls_303",nameB="opls_303"} 39: type[81]={name="opls_304",nameB="opls_304"} 39: type[82]={name="opls_302",nameB="opls_302"} 39: type[83]={name="opls_300",nameB="opls_300"} 39: type[84]={name="opls_301",nameB="opls_301"} 39: type[85]={name="opls_301",nameB="opls_301"} 39: type[86]={name="opls_300",nameB="opls_300"} 39: type[87]={name="opls_301",nameB="opls_301"} 39: type[88]={name="opls_301",nameB="opls_301"} 39: type[89]={name="opls_235",nameB="opls_235"} 39: type[90]={name="opls_236",nameB="opls_236"} 39: type[91]={name="opls_238",nameB="opls_238"} 39: type[92]={name="opls_241",nameB="opls_241"} 39: type[93]={name="opls_224B",nameB="opls_224B"} 39: type[94]={name="opls_140",nameB="opls_140"} 39: type[95]={name="opls_206",nameB="opls_206"} 39: type[96]={name="opls_140",nameB="opls_140"} 39: type[97]={name="opls_140",nameB="opls_140"} 39: type[98]={name="opls_200",nameB="opls_200"} 39: type[99]={name="opls_204",nameB="opls_204"} 39: type[100]={name="opls_235",nameB="opls_235"} 39: type[101]={name="opls_236",nameB="opls_236"} 39: type[102]={name="opls_238",nameB="opls_238"} 39: type[103]={name="opls_241",nameB="opls_241"} 39: type[104]={name="opls_224B",nameB="opls_224B"} 39: type[105]={name="opls_140",nameB="opls_140"} 39: type[106]={name="opls_136",nameB="opls_136"} 39: type[107]={name="opls_140",nameB="opls_140"} 39: type[108]={name="opls_140",nameB="opls_140"} 39: type[109]={name="opls_274",nameB="opls_274"} 39: type[110]={name="opls_140",nameB="opls_140"} 39: type[111]={name="opls_140",nameB="opls_140"} 39: type[112]={name="opls_271",nameB="opls_271"} 39: type[113]={name="opls_272",nameB="opls_272"} 39: type[114]={name="opls_272",nameB="opls_272"} 39: type[115]={name="opls_235",nameB="opls_235"} 39: type[116]={name="opls_236",nameB="opls_236"} 39: type[117]={name="opls_238",nameB="opls_238"} 39: type[118]={name="opls_241",nameB="opls_241"} 39: type[119]={name="opls_224B",nameB="opls_224B"} 39: type[120]={name="opls_140",nameB="opls_140"} 39: type[121]={name="opls_136",nameB="opls_136"} 39: type[122]={name="opls_140",nameB="opls_140"} 39: type[123]={name="opls_140",nameB="opls_140"} 39: type[124]={name="opls_137",nameB="opls_137"} 39: type[125]={name="opls_140",nameB="opls_140"} 39: type[126]={name="opls_135",nameB="opls_135"} 39: type[127]={name="opls_140",nameB="opls_140"} 39: type[128]={name="opls_140",nameB="opls_140"} 39: type[129]={name="opls_140",nameB="opls_140"} 39: type[130]={name="opls_135",nameB="opls_135"} 39: type[131]={name="opls_140",nameB="opls_140"} 39: type[132]={name="opls_140",nameB="opls_140"} 39: type[133]={name="opls_140",nameB="opls_140"} 39: type[134]={name="opls_235",nameB="opls_235"} 39: type[135]={name="opls_236",nameB="opls_236"} 39: type[136]={name="opls_238",nameB="opls_238"} 39: type[137]={name="opls_241",nameB="opls_241"} 39: type[138]={name="opls_224B",nameB="opls_224B"} 39: type[139]={name="opls_140",nameB="opls_140"} 39: type[140]={name="opls_135",nameB="opls_135"} 39: type[141]={name="opls_140",nameB="opls_140"} 39: type[142]={name="opls_140",nameB="opls_140"} 39: type[143]={name="opls_140",nameB="opls_140"} 39: type[144]={name="opls_235",nameB="opls_235"} 39: type[145]={name="opls_236",nameB="opls_236"} 39: type[146]={name="opls_238",nameB="opls_238"} 39: type[147]={name="opls_241",nameB="opls_241"} 39: type[148]={name="opls_224B",nameB="opls_224B"} 39: type[149]={name="opls_140",nameB="opls_140"} 39: type[150]={name="opls_135",nameB="opls_135"} 39: type[151]={name="opls_140",nameB="opls_140"} 39: type[152]={name="opls_140",nameB="opls_140"} 39: type[153]={name="opls_140",nameB="opls_140"} 39: type[154]={name="opls_235",nameB="opls_235"} 39: type[155]={name="opls_236",nameB="opls_236"} 39: residue (10): 39: residue[0]={name="LYS", nr=1, ic=' '} 39: residue[1]={name="VAL", nr=2, ic=' '} 39: residue[2]={name="PHE", nr=3, ic=' '} 39: residue[3]={name="GLY", nr=4, ic=' '} 39: residue[4]={name="ARG", nr=5, ic=' '} 39: residue[5]={name="CYS", nr=6, ic=' '} 39: residue[6]={name="GLU", nr=7, ic=' '} 39: residue[7]={name="LEU", nr=8, ic=' '} 39: residue[8]={name="ALA", nr=9, ic=' '} 39: residue[9]={name="ALA", nr=10, ic=' '} 39: excls: 39: nr=156 39: nra=1828 39: excls[0][0..12]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 22, 23, 24} 39: excls[1][13..20]={0, 1, 2, 3, 4, 5, 6, 22} 39: excls[2][21..28]={0, 1, 2, 3, 4, 5, 6, 22} 39: excls[3][29..36]={0, 1, 2, 3, 4, 5, 6, 22} 39: excls[4][37..54]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 22, 39: 23, 24, 25, 26} 39: excls[5][55..67]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 22, 23, 24} 39: excls[6][68..86]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 39: 14, 15, 22, 23, 24} 39: excls[7][87..97]={0, 4, 5, 6, 7, 8, 9, 10, 11, 12, 22} 39: excls[8][98..108]={0, 4, 5, 6, 7, 8, 9, 10, 11, 12, 22} 39: excls[9][109..125]={0, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 39: 16, 17, 18, 22} 39: excls[10][126..136]={4, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15} 39: excls[11][137..147]={4, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15} 39: excls[12][148..164]={4, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 39: 17, 18, 19, 20, 21} 39: excls[13][165..175]={6, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18} 39: excls[14][176..186]={6, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18} 39: excls[15][187..200]={6, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 39: 19, 20, 21} 39: excls[16][201..211]={9, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21} 39: excls[17][212..222]={9, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21} 39: excls[18][223..233]={9, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21} 39: excls[19][234..241]={12, 15, 16, 17, 18, 19, 20, 21} 39: excls[20][242..249]={12, 15, 16, 17, 18, 19, 20, 21} 39: excls[21][250..257]={12, 15, 16, 17, 18, 19, 20, 21} 39: excls[22][258..275]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 22, 23, 24, 39: 25, 26, 27, 28, 38} 39: excls[23][276..284]={0, 4, 5, 6, 22, 23, 24, 25, 26} 39: excls[24][285..301]={0, 4, 5, 6, 22, 23, 24, 25, 26, 27, 28, 29, 39: 30, 34, 38, 39, 40} 39: excls[25][302..310]={4, 22, 23, 24, 25, 26, 27, 28, 38} 39: excls[26][311..332]={4, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 39: 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42} 39: excls[27][333..344]={22, 24, 25, 26, 27, 28, 29, 30, 34, 38, 39, 39: 40} 39: excls[28][345..362]={22, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 39: 34, 35, 36, 37, 38, 39, 40} 39: excls[29][363..376]={24, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 39: 36, 37, 38} 39: excls[30][377..390]={24, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 39: 36, 37, 38} 39: excls[31][391..398]={26, 28, 29, 30, 31, 32, 33, 34} 39: excls[32][399..406]={26, 28, 29, 30, 31, 32, 33, 34} 39: excls[33][407..414]={26, 28, 29, 30, 31, 32, 33, 34} 39: excls[34][415..428]={24, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 39: 36, 37, 38} 39: excls[35][429..436]={26, 28, 29, 30, 34, 35, 36, 37} 39: excls[36][437..444]={26, 28, 29, 30, 34, 35, 36, 37} 39: excls[37][445..452]={26, 28, 29, 30, 34, 35, 36, 37} 39: excls[38][453..469]={22, 24, 25, 26, 27, 28, 29, 30, 34, 38, 39, 39: 40, 41, 42, 43, 44, 58} 39: excls[39][470..478]={24, 26, 27, 28, 38, 39, 40, 41, 42} 39: excls[40][479..495]={24, 26, 27, 28, 38, 39, 40, 41, 42, 43, 44, 39: 45, 46, 47, 58, 59, 60} 39: excls[41][496..504]={26, 38, 39, 40, 41, 42, 43, 44, 58} 39: excls[42][505..522]={26, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 39: 48, 50, 58, 59, 60, 61, 62} 39: excls[43][523..534]={38, 40, 41, 42, 43, 44, 45, 46, 47, 58, 59, 39: 60} 39: excls[44][535..552]={38, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 39: 50, 51, 52, 54, 58, 59, 60} 39: excls[45][553..562]={40, 42, 43, 44, 45, 46, 47, 48, 50, 58} 39: excls[46][563..572]={40, 42, 43, 44, 45, 46, 47, 48, 50, 58} 39: excls[47][573..589]={40, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 39: 52, 53, 54, 55, 56, 58} 39: excls[48][590..603]={42, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 39: 54, 56, 57} 39: excls[49][604..611]={44, 47, 48, 49, 50, 52, 53, 56} 39: excls[50][612..625]={42, 44, 45, 46, 47, 48, 49, 50, 51, 52, 54, 39: 55, 56, 57} 39: excls[51][626..633]={44, 47, 48, 50, 51, 54, 55, 56} 39: excls[52][634..644]={44, 47, 48, 49, 50, 52, 53, 54, 55, 56, 57} 39: excls[53][645..652]={47, 48, 49, 52, 53, 54, 56, 57} 39: excls[54][653..663]={44, 47, 48, 50, 51, 52, 53, 54, 55, 56, 57} 39: excls[55][664..671]={47, 50, 51, 52, 54, 55, 56, 57} 39: excls[56][672..682]={47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57} 39: excls[57][683..690]={48, 50, 52, 53, 54, 55, 56, 57} 39: excls[58][691..707]={38, 40, 41, 42, 43, 44, 45, 46, 47, 58, 59, 39: 60, 61, 62, 63, 64, 65} 39: excls[59][708..716]={40, 42, 43, 44, 58, 59, 60, 61, 62} 39: excls[60][717..730]={40, 42, 43, 44, 58, 59, 60, 61, 62, 63, 64, 39: 65, 66, 67} 39: excls[61][731..739]={42, 58, 59, 60, 61, 62, 63, 64, 65} 39: excls[62][740..752]={42, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 39: 68, 69} 39: excls[63][753..761]={58, 60, 61, 62, 63, 64, 65, 66, 67} 39: excls[64][762..770]={58, 60, 61, 62, 63, 64, 65, 66, 67} 39: excls[65][771..784]={58, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 39: 70, 71, 89} 39: excls[66][785..793]={60, 62, 63, 64, 65, 66, 67, 68, 69} 39: excls[67][794..810]={60, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 39: 72, 73, 74, 89, 90, 91} 39: excls[68][811..819]={62, 65, 66, 67, 68, 69, 70, 71, 89} 39: excls[69][820..838]={62, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 39: 75, 76, 77, 89, 90, 91, 92, 93} 39: excls[70][839..850]={65, 67, 68, 69, 70, 71, 72, 73, 74, 89, 90, 39: 91} 39: excls[71][851..868]={65, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 39: 77, 78, 79, 80, 89, 90, 91} 39: excls[72][869..879]={67, 69, 70, 71, 72, 73, 74, 75, 76, 77, 89} 39: excls[73][880..890]={67, 69, 70, 71, 72, 73, 74, 75, 76, 77, 89} 39: excls[74][891..906]={67, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 39: 79, 80, 81, 82, 89} 39: excls[75][907..917]={69, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80} 39: excls[76][918..928]={69, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80} 39: excls[77][929..943]={69, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 39: 81, 82, 83, 86} 39: excls[78][944..953]={71, 74, 75, 76, 77, 78, 79, 80, 81, 82} 39: excls[79][954..963]={71, 74, 75, 76, 77, 78, 79, 80, 81, 82} 39: excls[80][964..979]={71, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 39: 84, 85, 86, 87, 88} 39: excls[81][980..988]={74, 77, 78, 79, 80, 81, 82, 83, 86} 39: excls[82][989..1001]={74, 77, 78, 79, 80, 81, 82, 83, 84, 85, 39: 86, 87, 88} 39: excls[83][1002..1011]={77, 80, 81, 82, 83, 84, 85, 86, 87, 88} 39: excls[84][1012..1017]={80, 82, 83, 84, 85, 86} 39: excls[85][1018..1023]={80, 82, 83, 84, 85, 86} 39: excls[86][1024..1033]={77, 80, 81, 82, 83, 84, 85, 86, 87, 88} 39: excls[87][1034..1039]={80, 82, 83, 86, 87, 88} 39: excls[88][1040..1045]={80, 82, 83, 86, 87, 88} 39: excls[89][1046..1062]={65, 67, 68, 69, 70, 71, 72, 73, 74, 89, 39: 90, 91, 92, 93, 94, 95, 100} 39: excls[90][1063..1071]={67, 69, 70, 71, 89, 90, 91, 92, 93} 39: excls[91][1072..1088]={67, 69, 70, 71, 89, 90, 91, 92, 93, 94, 39: 95, 96, 97, 98, 100, 101, 102} 39: excls[92][1089..1097]={69, 89, 90, 91, 92, 93, 94, 95, 100} 39: excls[93][1098..1114]={69, 89, 90, 91, 92, 93, 94, 95, 96, 97, 39: 98, 99, 100, 101, 102, 103, 104} 39: excls[94][1115..1126]={89, 91, 92, 93, 94, 95, 96, 97, 98, 100, 39: 101, 102} 39: excls[95][1127..1139]={89, 91, 92, 93, 94, 95, 96, 97, 98, 99, 39: 100, 101, 102} 39: excls[96][1140..1148]={91, 93, 94, 95, 96, 97, 98, 99, 100} 39: excls[97][1149..1157]={91, 93, 94, 95, 96, 97, 98, 99, 100} 39: excls[98][1158..1166]={91, 93, 94, 95, 96, 97, 98, 99, 100} 39: excls[99][1167..1172]={93, 95, 96, 97, 98, 99} 39: excls[100][1173..1189]={89, 91, 92, 93, 94, 95, 96, 97, 98, 100, 39: 101, 102, 103, 104, 105, 106, 115} 39: excls[101][1190..1198]={91, 93, 94, 95, 100, 101, 102, 103, 104} 39: excls[102][1199..1215]={91, 93, 94, 95, 100, 101, 102, 103, 104, 39: 105, 106, 107, 108, 109, 115, 116, 117} 39: excls[103][1216..1224]={93, 100, 101, 102, 103, 104, 105, 106, 39: 115} 39: excls[104][1225..1243]={93, 100, 101, 102, 103, 104, 105, 106, 39: 107, 108, 109, 110, 111, 112, 115, 116, 117, 118, 119} 39: excls[105][1244..1255]={100, 102, 103, 104, 105, 106, 107, 108, 39: 109, 115, 116, 117} 39: excls[106][1256..1272]={100, 102, 103, 104, 105, 106, 107, 108, 39: 109, 110, 111, 112, 113, 114, 115, 116, 117} 39: excls[107][1273..1283]={102, 104, 105, 106, 107, 108, 109, 110, 39: 111, 112, 115} 39: excls[108][1284..1294]={102, 104, 105, 106, 107, 108, 109, 110, 39: 111, 112, 115} 39: excls[109][1295..1307]={102, 104, 105, 106, 107, 108, 109, 110, 39: 111, 112, 113, 114, 115} 39: excls[110][1308..1317]={104, 106, 107, 108, 109, 110, 111, 112, 39: 113, 114} 39: excls[111][1318..1327]={104, 106, 107, 108, 109, 110, 111, 112, 39: 113, 114} 39: excls[112][1328..1337]={104, 106, 107, 108, 109, 110, 111, 112, 39: 113, 114} 39: excls[113][1338..1344]={106, 109, 110, 111, 112, 113, 114} 39: excls[114][1345..1351]={106, 109, 110, 111, 112, 113, 114} 39: excls[115][1352..1368]={100, 102, 103, 104, 105, 106, 107, 108, 39: 109, 115, 116, 117, 118, 119, 120, 121, 134} 39: excls[116][1369..1377]={102, 104, 105, 106, 115, 116, 117, 118, 39: 119} 39: excls[117][1378..1394]={102, 104, 105, 106, 115, 116, 117, 118, 39: 119, 120, 121, 122, 123, 124, 134, 135, 136} 39: excls[118][1395..1403]={104, 115, 116, 117, 118, 119, 120, 121, 39: 134} 39: excls[119][1404..1422]={104, 115, 116, 117, 118, 119, 120, 121, 39: 122, 123, 124, 125, 126, 130, 134, 135, 136, 137, 138} 39: excls[120][1423..1434]={115, 117, 118, 119, 120, 121, 122, 123, 39: 124, 134, 135, 136} 39: excls[121][1435..1455]={115, 117, 118, 119, 120, 121, 122, 123, 39: 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 39: 136} 39: excls[122][1456..1466]={117, 119, 120, 121, 122, 123, 124, 125, 39: 126, 130, 134} 39: excls[123][1467..1477]={117, 119, 120, 121, 122, 123, 124, 125, 39: 126, 130, 134} 39: excls[124][1478..1494]={117, 119, 120, 121, 122, 123, 124, 125, 39: 126, 127, 128, 129, 130, 131, 132, 133, 134} 39: excls[125][1495..1508]={119, 121, 122, 123, 124, 125, 126, 127, 39: 128, 129, 130, 131, 132, 133} 39: excls[126][1509..1522]={119, 121, 122, 123, 124, 125, 126, 127, 39: 128, 129, 130, 131, 132, 133} 39: excls[127][1523..1530]={121, 124, 125, 126, 127, 128, 129, 130} 39: excls[128][1531..1538]={121, 124, 125, 126, 127, 128, 129, 130} 39: excls[129][1539..1546]={121, 124, 125, 126, 127, 128, 129, 130} 39: excls[130][1547..1560]={119, 121, 122, 123, 124, 125, 126, 127, 39: 128, 129, 130, 131, 132, 133} 39: excls[131][1561..1568]={121, 124, 125, 126, 130, 131, 132, 133} 39: excls[132][1569..1576]={121, 124, 125, 126, 130, 131, 132, 133} 39: excls[133][1577..1584]={121, 124, 125, 126, 130, 131, 132, 133} 39: excls[134][1585..1601]={115, 117, 118, 119, 120, 121, 122, 123, 39: 124, 134, 135, 136, 137, 138, 139, 140, 144} 39: excls[135][1602..1610]={117, 119, 120, 121, 134, 135, 136, 137, 39: 138} 39: excls[136][1611..1627]={117, 119, 120, 121, 134, 135, 136, 137, 39: 138, 139, 140, 141, 142, 143, 144, 145, 146} 39: excls[137][1628..1636]={119, 134, 135, 136, 137, 138, 139, 140, 39: 144} 39: excls[138][1637..1652]={119, 134, 135, 136, 137, 138, 139, 140, 39: 141, 142, 143, 144, 145, 146, 147, 148} 39: excls[139][1653..1664]={134, 136, 137, 138, 139, 140, 141, 142, 39: 143, 144, 145, 146} 39: excls[140][1665..1676]={134, 136, 137, 138, 139, 140, 141, 142, 39: 143, 144, 145, 146} 39: excls[141][1677..1684]={136, 138, 139, 140, 141, 142, 143, 144} 39: excls[142][1685..1692]={136, 138, 139, 140, 141, 142, 143, 144} 39: excls[143][1693..1700]={136, 138, 139, 140, 141, 142, 143, 144} 39: excls[144][1701..1717]={134, 136, 137, 138, 139, 140, 141, 142, 39: 143, 144, 145, 146, 147, 148, 149, 150, 154} 39: excls[145][1718..1726]={136, 138, 139, 140, 144, 145, 146, 147, 39: 148} 39: excls[146][1727..1742]={136, 138, 139, 140, 144, 145, 146, 147, 39: 148, 149, 150, 151, 152, 153, 154, 155} 39: excls[147][1743..1751]={138, 144, 145, 146, 147, 148, 149, 150, 39: 154} 39: excls[148][1752..1764]={138, 144, 145, 146, 147, 148, 149, 150, 39: 151, 152, 153, 154, 155} 39: excls[149][1765..1775]={144, 146, 147, 148, 149, 150, 151, 152, 39: 153, 154, 155} 39: excls[150][1776..1786]={144, 146, 147, 148, 149, 150, 151, 152, 39: 153, 154, 155} 39: excls[151][1787..1794]={146, 148, 149, 150, 151, 152, 153, 154} 39: excls[152][1795..1802]={146, 148, 149, 150, 151, 152, 153, 154} 39: excls[153][1803..1810]={146, 148, 149, 150, 151, 152, 153, 154} 39: excls[154][1811..1821]={144, 146, 147, 148, 149, 150, 151, 152, 39: 153, 154, 155} 39: excls[155][1822..1827]={146, 148, 149, 150, 154, 155} 39: Bond: 39: nr: 468 39: iatoms: 39: 0 type=100 (BONDS) 0 1 39: 1 type=100 (BONDS) 0 2 39: 2 type=100 (BONDS) 0 3 39: 3 type=101 (BONDS) 0 4 39: 4 type=102 (BONDS) 4 5 39: 5 type=103 (BONDS) 4 6 39: 6 type=104 (BONDS) 4 22 39: 7 type=102 (BONDS) 6 7 39: 8 type=102 (BONDS) 6 8 39: 9 type=103 (BONDS) 6 9 39: 10 type=102 (BONDS) 9 10 39: 11 type=102 (BONDS) 9 11 39: 12 type=103 (BONDS) 9 12 39: 13 type=102 (BONDS) 12 13 39: 14 type=102 (BONDS) 12 14 39: 15 type=103 (BONDS) 12 15 39: 16 type=102 (BONDS) 15 16 39: 17 type=102 (BONDS) 15 17 39: 18 type=101 (BONDS) 15 18 39: 19 type=100 (BONDS) 18 19 39: 20 type=100 (BONDS) 18 20 39: 21 type=100 (BONDS) 18 21 39: 22 type=105 (BONDS) 22 23 39: 23 type=106 (BONDS) 22 24 39: 24 type=100 (BONDS) 24 25 39: 25 type=107 (BONDS) 24 26 39: 26 type=102 (BONDS) 26 27 39: 27 type=103 (BONDS) 26 28 39: 28 type=104 (BONDS) 26 38 39: 29 type=102 (BONDS) 28 29 39: 30 type=103 (BONDS) 28 30 39: 31 type=103 (BONDS) 28 34 39: 32 type=102 (BONDS) 30 31 39: 33 type=102 (BONDS) 30 32 39: 34 type=102 (BONDS) 30 33 39: 35 type=102 (BONDS) 34 35 39: 36 type=102 (BONDS) 34 36 39: 37 type=102 (BONDS) 34 37 39: 38 type=105 (BONDS) 38 39 39: 39 type=106 (BONDS) 38 40 39: 40 type=100 (BONDS) 40 41 39: 41 type=107 (BONDS) 40 42 39: 42 type=102 (BONDS) 42 43 39: 43 type=103 (BONDS) 42 44 39: 44 type=104 (BONDS) 42 58 39: 45 type=102 (BONDS) 44 45 39: 46 type=102 (BONDS) 44 46 39: 47 type=108 (BONDS) 44 47 39: 48 type=109 (BONDS) 47 48 39: 49 type=109 (BONDS) 47 50 39: 50 type=110 (BONDS) 48 49 39: 51 type=109 (BONDS) 48 52 39: 52 type=110 (BONDS) 50 51 39: 53 type=109 (BONDS) 50 54 39: 54 type=110 (BONDS) 52 53 39: 55 type=109 (BONDS) 52 56 39: 56 type=110 (BONDS) 54 55 39: 57 type=109 (BONDS) 54 56 39: 58 type=110 (BONDS) 56 57 39: 59 type=105 (BONDS) 58 59 39: 60 type=106 (BONDS) 58 60 39: 61 type=100 (BONDS) 60 61 39: 62 type=107 (BONDS) 60 62 39: 63 type=102 (BONDS) 62 63 39: 64 type=102 (BONDS) 62 64 39: 65 type=104 (BONDS) 62 65 39: 66 type=105 (BONDS) 65 66 39: 67 type=106 (BONDS) 65 67 39: 68 type=100 (BONDS) 67 68 39: 69 type=107 (BONDS) 67 69 39: 70 type=102 (BONDS) 69 70 39: 71 type=103 (BONDS) 69 71 39: 72 type=104 (BONDS) 69 89 39: 73 type=102 (BONDS) 71 72 39: 74 type=102 (BONDS) 71 73 39: 75 type=103 (BONDS) 71 74 39: 76 type=102 (BONDS) 74 75 39: 77 type=102 (BONDS) 74 76 39: 78 type=103 (BONDS) 74 77 39: 79 type=102 (BONDS) 77 78 39: 80 type=102 (BONDS) 77 79 39: 81 type=111 (BONDS) 77 80 39: 82 type=100 (BONDS) 80 81 39: 83 type=112 (BONDS) 80 82 39: 84 type=112 (BONDS) 82 83 39: 85 type=112 (BONDS) 82 86 39: 86 type=100 (BONDS) 83 84 39: 87 type=100 (BONDS) 83 85 39: 88 type=100 (BONDS) 86 87 39: 89 type=100 (BONDS) 86 88 39: 90 type=105 (BONDS) 89 90 39: 91 type=106 (BONDS) 89 91 39: 92 type=100 (BONDS) 91 92 39: 93 type=107 (BONDS) 91 93 39: 94 type=102 (BONDS) 93 94 39: 95 type=103 (BONDS) 93 95 39: 96 type=104 (BONDS) 93 100 39: 97 type=102 (BONDS) 95 96 39: 98 type=102 (BONDS) 95 97 39: 99 type=113 (BONDS) 95 98 39: 100 type=114 (BONDS) 98 99 39: 101 type=105 (BONDS) 100 101 39: 102 type=106 (BONDS) 100 102 39: 103 type=100 (BONDS) 102 103 39: 104 type=107 (BONDS) 102 104 39: 105 type=102 (BONDS) 104 105 39: 106 type=103 (BONDS) 104 106 39: 107 type=104 (BONDS) 104 115 39: 108 type=102 (BONDS) 106 107 39: 109 type=102 (BONDS) 106 108 39: 110 type=103 (BONDS) 106 109 39: 111 type=102 (BONDS) 109 110 39: 112 type=102 (BONDS) 109 111 39: 113 type=104 (BONDS) 109 112 39: 114 type=115 (BONDS) 112 113 39: 115 type=115 (BONDS) 112 114 39: 116 type=105 (BONDS) 115 116 39: 117 type=106 (BONDS) 115 117 39: 118 type=100 (BONDS) 117 118 39: 119 type=107 (BONDS) 117 119 39: 120 type=102 (BONDS) 119 120 39: 121 type=103 (BONDS) 119 121 39: 122 type=104 (BONDS) 119 134 39: 123 type=102 (BONDS) 121 122 39: 124 type=102 (BONDS) 121 123 39: 125 type=103 (BONDS) 121 124 39: 126 type=102 (BONDS) 124 125 39: 127 type=103 (BONDS) 124 126 39: 128 type=103 (BONDS) 124 130 39: 129 type=102 (BONDS) 126 127 39: 130 type=102 (BONDS) 126 128 39: 131 type=102 (BONDS) 126 129 39: 132 type=102 (BONDS) 130 131 39: 133 type=102 (BONDS) 130 132 39: 134 type=102 (BONDS) 130 133 39: 135 type=105 (BONDS) 134 135 39: 136 type=106 (BONDS) 134 136 39: 137 type=100 (BONDS) 136 137 39: 138 type=107 (BONDS) 136 138 39: 139 type=102 (BONDS) 138 139 39: 140 type=103 (BONDS) 138 140 39: 141 type=104 (BONDS) 138 144 39: 142 type=102 (BONDS) 140 141 39: 143 type=102 (BONDS) 140 142 39: 144 type=102 (BONDS) 140 143 39: 145 type=105 (BONDS) 144 145 39: 146 type=106 (BONDS) 144 146 39: 147 type=100 (BONDS) 146 147 39: 148 type=107 (BONDS) 146 148 39: 149 type=102 (BONDS) 148 149 39: 150 type=103 (BONDS) 148 150 39: 151 type=104 (BONDS) 148 154 39: 152 type=102 (BONDS) 150 151 39: 153 type=102 (BONDS) 150 152 39: 154 type=102 (BONDS) 150 153 39: 155 type=105 (BONDS) 154 155 39: G96Bond: 39: nr: 0 39: Morse: 39: nr: 0 39: Cubic Bonds: 39: nr: 0 39: Connect Bonds: 39: nr: 0 39: Harmonic Pot.: 39: nr: 0 39: FENE Bonds: 39: nr: 0 39: Tab. Bonds: 39: nr: 0 39: Tab. Bonds NC: 39: nr: 0 39: Restraint Pot.: 39: nr: 0 39: Angle: 39: nr: 1124 39: iatoms: 39: 0 type=116 (ANGLES) 1 0 2 39: 1 type=116 (ANGLES) 1 0 3 39: 2 type=116 (ANGLES) 1 0 4 39: 3 type=116 (ANGLES) 2 0 3 39: 4 type=116 (ANGLES) 2 0 4 39: 5 type=116 (ANGLES) 3 0 4 39: 6 type=116 (ANGLES) 0 4 5 39: 7 type=117 (ANGLES) 0 4 6 39: 8 type=117 (ANGLES) 0 4 22 39: 9 type=118 (ANGLES) 5 4 6 39: 10 type=116 (ANGLES) 5 4 22 39: 11 type=119 (ANGLES) 6 4 22 39: 12 type=118 (ANGLES) 4 6 7 39: 13 type=118 (ANGLES) 4 6 8 39: 14 type=120 (ANGLES) 4 6 9 39: 15 type=121 (ANGLES) 7 6 8 39: 16 type=118 (ANGLES) 7 6 9 39: 17 type=118 (ANGLES) 8 6 9 39: 18 type=118 (ANGLES) 6 9 10 39: 19 type=118 (ANGLES) 6 9 11 39: 20 type=120 (ANGLES) 6 9 12 39: 21 type=121 (ANGLES) 10 9 11 39: 22 type=118 (ANGLES) 10 9 12 39: 23 type=118 (ANGLES) 11 9 12 39: 24 type=118 (ANGLES) 9 12 13 39: 25 type=118 (ANGLES) 9 12 14 39: 26 type=120 (ANGLES) 9 12 15 39: 27 type=121 (ANGLES) 13 12 14 39: 28 type=118 (ANGLES) 13 12 15 39: 29 type=118 (ANGLES) 14 12 15 39: 30 type=118 (ANGLES) 12 15 16 39: 31 type=118 (ANGLES) 12 15 17 39: 32 type=117 (ANGLES) 12 15 18 39: 33 type=121 (ANGLES) 16 15 17 39: 34 type=116 (ANGLES) 16 15 18 39: 35 type=116 (ANGLES) 17 15 18 39: 36 type=116 (ANGLES) 15 18 19 39: 37 type=116 (ANGLES) 15 18 20 39: 38 type=116 (ANGLES) 15 18 21 39: 39 type=116 (ANGLES) 19 18 20 39: 40 type=116 (ANGLES) 19 18 21 39: 41 type=116 (ANGLES) 20 18 21 39: 42 type=122 (ANGLES) 4 22 23 39: 43 type=123 (ANGLES) 4 22 24 39: 44 type=124 (ANGLES) 23 22 24 39: 45 type=125 (ANGLES) 22 24 25 39: 46 type=126 (ANGLES) 22 24 26 39: 47 type=127 (ANGLES) 25 24 26 39: 48 type=116 (ANGLES) 24 26 27 39: 49 type=128 (ANGLES) 24 26 28 39: 50 type=129 (ANGLES) 24 26 38 39: 51 type=118 (ANGLES) 27 26 28 39: 52 type=116 (ANGLES) 27 26 38 39: 53 type=119 (ANGLES) 28 26 38 39: 54 type=118 (ANGLES) 26 28 29 39: 55 type=120 (ANGLES) 26 28 30 39: 56 type=120 (ANGLES) 26 28 34 39: 57 type=118 (ANGLES) 29 28 30 39: 58 type=118 (ANGLES) 29 28 34 39: 59 type=120 (ANGLES) 30 28 34 39: 60 type=118 (ANGLES) 28 30 31 39: 61 type=118 (ANGLES) 28 30 32 39: 62 type=118 (ANGLES) 28 30 33 39: 63 type=121 (ANGLES) 31 30 32 39: 64 type=121 (ANGLES) 31 30 33 39: 65 type=121 (ANGLES) 32 30 33 39: 66 type=118 (ANGLES) 28 34 35 39: 67 type=118 (ANGLES) 28 34 36 39: 68 type=118 (ANGLES) 28 34 37 39: 69 type=121 (ANGLES) 35 34 36 39: 70 type=121 (ANGLES) 35 34 37 39: 71 type=121 (ANGLES) 36 34 37 39: 72 type=122 (ANGLES) 26 38 39 39: 73 type=123 (ANGLES) 26 38 40 39: 74 type=124 (ANGLES) 39 38 40 39: 75 type=125 (ANGLES) 38 40 41 39: 76 type=126 (ANGLES) 38 40 42 39: 77 type=127 (ANGLES) 41 40 42 39: 78 type=116 (ANGLES) 40 42 43 39: 79 type=128 (ANGLES) 40 42 44 39: 80 type=129 (ANGLES) 40 42 58 39: 81 type=118 (ANGLES) 43 42 44 39: 82 type=116 (ANGLES) 43 42 58 39: 83 type=119 (ANGLES) 44 42 58 39: 84 type=118 (ANGLES) 42 44 45 39: 85 type=118 (ANGLES) 42 44 46 39: 86 type=130 (ANGLES) 42 44 47 39: 87 type=121 (ANGLES) 45 44 46 39: 88 type=116 (ANGLES) 45 44 47 39: 89 type=116 (ANGLES) 46 44 47 39: 90 type=131 (ANGLES) 44 47 48 39: 91 type=131 (ANGLES) 44 47 50 39: 92 type=132 (ANGLES) 48 47 50 39: 93 type=133 (ANGLES) 47 48 49 39: 94 type=132 (ANGLES) 47 48 52 39: 95 type=133 (ANGLES) 49 48 52 39: 96 type=133 (ANGLES) 47 50 51 39: 97 type=132 (ANGLES) 47 50 54 39: 98 type=133 (ANGLES) 51 50 54 39: 99 type=133 (ANGLES) 48 52 53 39: 100 type=132 (ANGLES) 48 52 56 39: 101 type=133 (ANGLES) 53 52 56 39: 102 type=133 (ANGLES) 50 54 55 39: 103 type=132 (ANGLES) 50 54 56 39: 104 type=133 (ANGLES) 55 54 56 39: 105 type=132 (ANGLES) 52 56 54 39: 106 type=133 (ANGLES) 52 56 57 39: 107 type=133 (ANGLES) 54 56 57 39: 108 type=122 (ANGLES) 42 58 59 39: 109 type=123 (ANGLES) 42 58 60 39: 110 type=124 (ANGLES) 59 58 60 39: 111 type=125 (ANGLES) 58 60 61 39: 112 type=126 (ANGLES) 58 60 62 39: 113 type=127 (ANGLES) 61 60 62 39: 114 type=116 (ANGLES) 60 62 63 39: 115 type=116 (ANGLES) 60 62 64 39: 116 type=129 (ANGLES) 60 62 65 39: 117 type=121 (ANGLES) 63 62 64 39: 118 type=116 (ANGLES) 63 62 65 39: 119 type=116 (ANGLES) 64 62 65 39: 120 type=122 (ANGLES) 62 65 66 39: 121 type=123 (ANGLES) 62 65 67 39: 122 type=124 (ANGLES) 66 65 67 39: 123 type=125 (ANGLES) 65 67 68 39: 124 type=126 (ANGLES) 65 67 69 39: 125 type=127 (ANGLES) 68 67 69 39: 126 type=116 (ANGLES) 67 69 70 39: 127 type=128 (ANGLES) 67 69 71 39: 128 type=129 (ANGLES) 67 69 89 39: 129 type=118 (ANGLES) 70 69 71 39: 130 type=116 (ANGLES) 70 69 89 39: 131 type=119 (ANGLES) 71 69 89 39: 132 type=118 (ANGLES) 69 71 72 39: 133 type=118 (ANGLES) 69 71 73 39: 134 type=120 (ANGLES) 69 71 74 39: 135 type=121 (ANGLES) 72 71 73 39: 136 type=118 (ANGLES) 72 71 74 39: 137 type=118 (ANGLES) 73 71 74 39: 138 type=118 (ANGLES) 71 74 75 39: 139 type=118 (ANGLES) 71 74 76 39: 140 type=120 (ANGLES) 71 74 77 39: 141 type=121 (ANGLES) 75 74 76 39: 142 type=118 (ANGLES) 75 74 77 39: 143 type=118 (ANGLES) 76 74 77 39: 144 type=118 (ANGLES) 74 77 78 39: 145 type=118 (ANGLES) 74 77 79 39: 146 type=117 (ANGLES) 74 77 80 39: 147 type=121 (ANGLES) 78 77 79 39: 148 type=116 (ANGLES) 78 77 80 39: 149 type=116 (ANGLES) 79 77 80 39: 150 type=134 (ANGLES) 77 80 81 39: 151 type=135 (ANGLES) 77 80 82 39: 152 type=133 (ANGLES) 81 80 82 39: 153 type=131 (ANGLES) 80 82 83 39: 154 type=131 (ANGLES) 80 82 86 39: 155 type=131 (ANGLES) 83 82 86 39: 156 type=133 (ANGLES) 82 83 84 39: 157 type=133 (ANGLES) 82 83 85 39: 158 type=133 (ANGLES) 84 83 85 39: 159 type=133 (ANGLES) 82 86 87 39: 160 type=133 (ANGLES) 82 86 88 39: 161 type=133 (ANGLES) 87 86 88 39: 162 type=122 (ANGLES) 69 89 90 39: 163 type=123 (ANGLES) 69 89 91 39: 164 type=124 (ANGLES) 90 89 91 39: 165 type=125 (ANGLES) 89 91 92 39: 166 type=126 (ANGLES) 89 91 93 39: 167 type=127 (ANGLES) 92 91 93 39: 168 type=116 (ANGLES) 91 93 94 39: 169 type=128 (ANGLES) 91 93 95 39: 170 type=129 (ANGLES) 91 93 100 39: 171 type=118 (ANGLES) 94 93 95 39: 172 type=116 (ANGLES) 94 93 100 39: 173 type=119 (ANGLES) 95 93 100 39: 174 type=118 (ANGLES) 93 95 96 39: 175 type=118 (ANGLES) 93 95 97 39: 176 type=136 (ANGLES) 93 95 98 39: 177 type=121 (ANGLES) 96 95 97 39: 178 type=116 (ANGLES) 96 95 98 39: 179 type=116 (ANGLES) 97 95 98 39: 180 type=137 (ANGLES) 95 98 99 39: 181 type=122 (ANGLES) 93 100 101 39: 182 type=123 (ANGLES) 93 100 102 39: 183 type=124 (ANGLES) 101 100 102 39: 184 type=125 (ANGLES) 100 102 103 39: 185 type=126 (ANGLES) 100 102 104 39: 186 type=127 (ANGLES) 103 102 104 39: 187 type=116 (ANGLES) 102 104 105 39: 188 type=128 (ANGLES) 102 104 106 39: 189 type=129 (ANGLES) 102 104 115 39: 190 type=118 (ANGLES) 105 104 106 39: 191 type=116 (ANGLES) 105 104 115 39: 192 type=119 (ANGLES) 106 104 115 39: 193 type=118 (ANGLES) 104 106 107 39: 194 type=118 (ANGLES) 104 106 108 39: 195 type=120 (ANGLES) 104 106 109 39: 196 type=121 (ANGLES) 107 106 108 39: 197 type=118 (ANGLES) 107 106 109 39: 198 type=118 (ANGLES) 108 106 109 39: 199 type=118 (ANGLES) 106 109 110 39: 200 type=118 (ANGLES) 106 109 111 39: 201 type=119 (ANGLES) 106 109 112 39: 202 type=121 (ANGLES) 110 109 111 39: 203 type=116 (ANGLES) 110 109 112 39: 204 type=116 (ANGLES) 111 109 112 39: 205 type=138 (ANGLES) 109 112 113 39: 206 type=138 (ANGLES) 109 112 114 39: 207 type=139 (ANGLES) 113 112 114 39: 208 type=122 (ANGLES) 104 115 116 39: 209 type=123 (ANGLES) 104 115 117 39: 210 type=124 (ANGLES) 116 115 117 39: 211 type=125 (ANGLES) 115 117 118 39: 212 type=126 (ANGLES) 115 117 119 39: 213 type=127 (ANGLES) 118 117 119 39: 214 type=116 (ANGLES) 117 119 120 39: 215 type=128 (ANGLES) 117 119 121 39: 216 type=129 (ANGLES) 117 119 134 39: 217 type=118 (ANGLES) 120 119 121 39: 218 type=116 (ANGLES) 120 119 134 39: 219 type=119 (ANGLES) 121 119 134 39: 220 type=118 (ANGLES) 119 121 122 39: 221 type=118 (ANGLES) 119 121 123 39: 222 type=120 (ANGLES) 119 121 124 39: 223 type=121 (ANGLES) 122 121 123 39: 224 type=118 (ANGLES) 122 121 124 39: 225 type=118 (ANGLES) 123 121 124 39: 226 type=118 (ANGLES) 121 124 125 39: 227 type=120 (ANGLES) 121 124 126 39: 228 type=120 (ANGLES) 121 124 130 39: 229 type=118 (ANGLES) 125 124 126 39: 230 type=118 (ANGLES) 125 124 130 39: 231 type=120 (ANGLES) 126 124 130 39: 232 type=118 (ANGLES) 124 126 127 39: 233 type=118 (ANGLES) 124 126 128 39: 234 type=118 (ANGLES) 124 126 129 39: 235 type=121 (ANGLES) 127 126 128 39: 236 type=121 (ANGLES) 127 126 129 39: 237 type=121 (ANGLES) 128 126 129 39: 238 type=118 (ANGLES) 124 130 131 39: 239 type=118 (ANGLES) 124 130 132 39: 240 type=118 (ANGLES) 124 130 133 39: 241 type=121 (ANGLES) 131 130 132 39: 242 type=121 (ANGLES) 131 130 133 39: 243 type=121 (ANGLES) 132 130 133 39: 244 type=122 (ANGLES) 119 134 135 39: 245 type=123 (ANGLES) 119 134 136 39: 246 type=124 (ANGLES) 135 134 136 39: 247 type=125 (ANGLES) 134 136 137 39: 248 type=126 (ANGLES) 134 136 138 39: 249 type=127 (ANGLES) 137 136 138 39: 250 type=116 (ANGLES) 136 138 139 39: 251 type=128 (ANGLES) 136 138 140 39: 252 type=129 (ANGLES) 136 138 144 39: 253 type=118 (ANGLES) 139 138 140 39: 254 type=116 (ANGLES) 139 138 144 39: 255 type=119 (ANGLES) 140 138 144 39: 256 type=118 (ANGLES) 138 140 141 39: 257 type=118 (ANGLES) 138 140 142 39: 258 type=118 (ANGLES) 138 140 143 39: 259 type=121 (ANGLES) 141 140 142 39: 260 type=121 (ANGLES) 141 140 143 39: 261 type=121 (ANGLES) 142 140 143 39: 262 type=122 (ANGLES) 138 144 145 39: 263 type=123 (ANGLES) 138 144 146 39: 264 type=124 (ANGLES) 145 144 146 39: 265 type=125 (ANGLES) 144 146 147 39: 266 type=126 (ANGLES) 144 146 148 39: 267 type=127 (ANGLES) 147 146 148 39: 268 type=116 (ANGLES) 146 148 149 39: 269 type=128 (ANGLES) 146 148 150 39: 270 type=129 (ANGLES) 146 148 154 39: 271 type=118 (ANGLES) 149 148 150 39: 272 type=116 (ANGLES) 149 148 154 39: 273 type=119 (ANGLES) 150 148 154 39: 274 type=118 (ANGLES) 148 150 151 39: 275 type=118 (ANGLES) 148 150 152 39: 276 type=118 (ANGLES) 148 150 153 39: 277 type=121 (ANGLES) 151 150 152 39: 278 type=121 (ANGLES) 151 150 153 39: 279 type=121 (ANGLES) 152 150 153 39: 280 type=122 (ANGLES) 148 154 155 39: G96Angle: 39: nr: 0 39: Restricted Angles: 39: nr: 0 39: Lin. Angle: 39: nr: 0 39: Bond-Cross: 39: nr: 0 39: BA-Cross: 39: nr: 0 39: U-B: 39: nr: 0 39: Quartic Angles: 39: nr: 0 39: Tab. Angles: 39: nr: 0 39: Proper Dih.: 39: nr: 145 39: iatoms: 39: 0 type=140 (PDIHS) 4 24 22 23 39: 1 type=141 (PDIHS) 22 26 24 25 39: 2 type=140 (PDIHS) 26 40 38 39 39: 3 type=141 (PDIHS) 38 42 40 41 39: 4 type=140 (PDIHS) 42 60 58 59 39: 5 type=142 (PDIHS) 44 47 50 48 39: 6 type=142 (PDIHS) 47 52 48 49 39: 7 type=142 (PDIHS) 47 54 50 51 39: 8 type=142 (PDIHS) 48 56 52 53 39: 9 type=142 (PDIHS) 50 56 54 55 39: 10 type=142 (PDIHS) 52 54 56 57 39: 11 type=141 (PDIHS) 58 62 60 61 39: 12 type=140 (PDIHS) 62 67 65 66 39: 13 type=141 (PDIHS) 65 69 67 68 39: 14 type=140 (PDIHS) 69 91 89 90 39: 15 type=141 (PDIHS) 77 82 80 81 39: 16 type=140 (PDIHS) 80 83 82 86 39: 17 type=141 (PDIHS) 82 84 83 85 39: 18 type=141 (PDIHS) 82 87 86 88 39: 19 type=141 (PDIHS) 89 93 91 92 39: 20 type=140 (PDIHS) 93 102 100 101 39: 21 type=141 (PDIHS) 100 104 102 103 39: 22 type=140 (PDIHS) 104 117 115 116 39: 23 type=140 (PDIHS) 109 113 112 114 39: 24 type=141 (PDIHS) 115 119 117 118 39: 25 type=140 (PDIHS) 119 136 134 135 39: 26 type=141 (PDIHS) 134 138 136 137 39: 27 type=140 (PDIHS) 138 146 144 145 39: 28 type=141 (PDIHS) 144 148 146 147 39: Ryckaert-Bell.: 39: nr: 1565 39: iatoms: 39: 0 type=143 (RBDIHS) 1 0 4 5 39: 1 type=144 (RBDIHS) 1 0 4 6 39: 2 type=144 (RBDIHS) 1 0 4 22 39: 3 type=143 (RBDIHS) 2 0 4 5 39: 4 type=144 (RBDIHS) 2 0 4 6 39: 5 type=144 (RBDIHS) 2 0 4 22 39: 6 type=143 (RBDIHS) 3 0 4 5 39: 7 type=144 (RBDIHS) 3 0 4 6 39: 8 type=144 (RBDIHS) 3 0 4 22 39: 9 type=145 (RBDIHS) 0 4 6 9 39: 10 type=146 (RBDIHS) 22 4 6 9 39: 11 type=147 (RBDIHS) 0 4 6 7 39: 12 type=147 (RBDIHS) 0 4 6 8 39: 13 type=148 (RBDIHS) 5 4 6 7 39: 14 type=148 (RBDIHS) 5 4 6 8 39: 15 type=148 (RBDIHS) 5 4 6 9 39: 16 type=149 (RBDIHS) 22 4 6 7 39: 17 type=149 (RBDIHS) 22 4 6 8 39: 18 type=150 (RBDIHS) 0 4 22 24 39: 19 type=151 (RBDIHS) 6 4 22 24 39: 20 type=148 (RBDIHS) 4 6 9 10 39: 21 type=148 (RBDIHS) 4 6 9 11 39: 22 type=152 (RBDIHS) 4 6 9 12 39: 23 type=148 (RBDIHS) 7 6 9 10 39: 24 type=148 (RBDIHS) 7 6 9 11 39: 25 type=148 (RBDIHS) 7 6 9 12 39: 26 type=148 (RBDIHS) 8 6 9 10 39: 27 type=148 (RBDIHS) 8 6 9 11 39: 28 type=148 (RBDIHS) 8 6 9 12 39: 29 type=148 (RBDIHS) 6 9 12 13 39: 30 type=148 (RBDIHS) 6 9 12 14 39: 31 type=152 (RBDIHS) 6 9 12 15 39: 32 type=148 (RBDIHS) 10 9 12 13 39: 33 type=148 (RBDIHS) 10 9 12 14 39: 34 type=148 (RBDIHS) 10 9 12 15 39: 35 type=148 (RBDIHS) 11 9 12 13 39: 36 type=148 (RBDIHS) 11 9 12 14 39: 37 type=148 (RBDIHS) 11 9 12 15 39: 38 type=148 (RBDIHS) 9 12 15 16 39: 39 type=148 (RBDIHS) 9 12 15 17 39: 40 type=153 (RBDIHS) 9 12 15 18 39: 41 type=148 (RBDIHS) 13 12 15 16 39: 42 type=148 (RBDIHS) 13 12 15 17 39: 43 type=154 (RBDIHS) 13 12 15 18 39: 44 type=148 (RBDIHS) 14 12 15 16 39: 45 type=148 (RBDIHS) 14 12 15 17 39: 46 type=154 (RBDIHS) 14 12 15 18 39: 47 type=144 (RBDIHS) 12 15 18 19 39: 48 type=144 (RBDIHS) 12 15 18 20 39: 49 type=144 (RBDIHS) 12 15 18 21 39: 50 type=143 (RBDIHS) 16 15 18 19 39: 51 type=143 (RBDIHS) 16 15 18 20 39: 52 type=143 (RBDIHS) 16 15 18 21 39: 53 type=143 (RBDIHS) 17 15 18 19 39: 54 type=143 (RBDIHS) 17 15 18 20 39: 55 type=143 (RBDIHS) 17 15 18 21 39: 56 type=155 (RBDIHS) 4 22 24 25 39: 57 type=156 (RBDIHS) 4 22 24 26 39: 58 type=155 (RBDIHS) 23 22 24 25 39: 59 type=157 (RBDIHS) 23 22 24 26 39: 60 type=158 (RBDIHS) 22 24 26 28 39: 61 type=159 (RBDIHS) 22 24 26 38 39: 62 type=160 (RBDIHS) 24 26 28 30 39: 63 type=160 (RBDIHS) 24 26 28 34 39: 64 type=161 (RBDIHS) 38 26 28 30 39: 65 type=161 (RBDIHS) 38 26 28 34 39: 66 type=147 (RBDIHS) 24 26 28 29 39: 67 type=148 (RBDIHS) 27 26 28 29 39: 68 type=148 (RBDIHS) 27 26 28 30 39: 69 type=148 (RBDIHS) 27 26 28 34 39: 70 type=149 (RBDIHS) 38 26 28 29 39: 71 type=150 (RBDIHS) 24 26 38 40 39: 72 type=151 (RBDIHS) 28 26 38 40 39: 73 type=148 (RBDIHS) 26 28 30 31 39: 74 type=148 (RBDIHS) 26 28 30 32 39: 75 type=148 (RBDIHS) 26 28 30 33 39: 76 type=148 (RBDIHS) 29 28 30 31 39: 77 type=148 (RBDIHS) 29 28 30 32 39: 78 type=148 (RBDIHS) 29 28 30 33 39: 79 type=148 (RBDIHS) 34 28 30 31 39: 80 type=148 (RBDIHS) 34 28 30 32 39: 81 type=148 (RBDIHS) 34 28 30 33 39: 82 type=148 (RBDIHS) 26 28 34 35 39: 83 type=148 (RBDIHS) 26 28 34 36 39: 84 type=148 (RBDIHS) 26 28 34 37 39: 85 type=148 (RBDIHS) 29 28 34 35 39: 86 type=148 (RBDIHS) 29 28 34 36 39: 87 type=148 (RBDIHS) 29 28 34 37 39: 88 type=148 (RBDIHS) 30 28 34 35 39: 89 type=148 (RBDIHS) 30 28 34 36 39: 90 type=148 (RBDIHS) 30 28 34 37 39: 91 type=155 (RBDIHS) 26 38 40 41 39: 92 type=156 (RBDIHS) 26 38 40 42 39: 93 type=155 (RBDIHS) 39 38 40 41 39: 94 type=157 (RBDIHS) 39 38 40 42 39: 95 type=158 (RBDIHS) 38 40 42 44 39: 96 type=159 (RBDIHS) 38 40 42 58 39: 97 type=147 (RBDIHS) 40 42 44 45 39: 98 type=147 (RBDIHS) 40 42 44 46 39: 99 type=162 (RBDIHS) 40 42 44 47 39: 100 type=148 (RBDIHS) 43 42 44 45 39: 101 type=148 (RBDIHS) 43 42 44 46 39: 102 type=163 (RBDIHS) 43 42 44 47 39: 103 type=149 (RBDIHS) 58 42 44 45 39: 104 type=149 (RBDIHS) 58 42 44 46 39: 105 type=164 (RBDIHS) 58 42 44 47 39: 106 type=150 (RBDIHS) 40 42 58 60 39: 107 type=151 (RBDIHS) 44 42 58 60 39: 108 type=165 (RBDIHS) 44 47 48 49 39: 109 type=165 (RBDIHS) 44 47 48 52 39: 110 type=165 (RBDIHS) 50 47 48 49 39: 111 type=165 (RBDIHS) 50 47 48 52 39: 112 type=165 (RBDIHS) 44 47 50 51 39: 113 type=165 (RBDIHS) 44 47 50 54 39: 114 type=165 (RBDIHS) 48 47 50 51 39: 115 type=165 (RBDIHS) 48 47 50 54 39: 116 type=165 (RBDIHS) 47 48 52 53 39: 117 type=165 (RBDIHS) 47 48 52 56 39: 118 type=165 (RBDIHS) 49 48 52 53 39: 119 type=165 (RBDIHS) 49 48 52 56 39: 120 type=165 (RBDIHS) 47 50 54 55 39: 121 type=165 (RBDIHS) 47 50 54 56 39: 122 type=165 (RBDIHS) 51 50 54 55 39: 123 type=165 (RBDIHS) 51 50 54 56 39: 124 type=165 (RBDIHS) 48 52 56 54 39: 125 type=165 (RBDIHS) 48 52 56 57 39: 126 type=165 (RBDIHS) 53 52 56 54 39: 127 type=165 (RBDIHS) 53 52 56 57 39: 128 type=165 (RBDIHS) 50 54 56 52 39: 129 type=165 (RBDIHS) 50 54 56 57 39: 130 type=165 (RBDIHS) 55 54 56 52 39: 131 type=165 (RBDIHS) 55 54 56 57 39: 132 type=155 (RBDIHS) 42 58 60 61 39: 133 type=156 (RBDIHS) 42 58 60 62 39: 134 type=155 (RBDIHS) 59 58 60 61 39: 135 type=157 (RBDIHS) 59 58 60 62 39: 136 type=159 (RBDIHS) 58 60 62 65 39: 137 type=150 (RBDIHS) 60 62 65 67 39: 138 type=155 (RBDIHS) 62 65 67 68 39: 139 type=156 (RBDIHS) 62 65 67 69 39: 140 type=155 (RBDIHS) 66 65 67 68 39: 141 type=157 (RBDIHS) 66 65 67 69 39: 142 type=158 (RBDIHS) 65 67 69 71 39: 143 type=159 (RBDIHS) 65 67 69 89 39: 144 type=166 (RBDIHS) 67 69 71 74 39: 145 type=167 (RBDIHS) 89 69 71 74 39: 146 type=147 (RBDIHS) 67 69 71 72 39: 147 type=147 (RBDIHS) 67 69 71 73 39: 148 type=148 (RBDIHS) 70 69 71 72 39: 149 type=148 (RBDIHS) 70 69 71 73 39: 150 type=148 (RBDIHS) 70 69 71 74 39: 151 type=149 (RBDIHS) 89 69 71 72 39: 152 type=149 (RBDIHS) 89 69 71 73 39: 153 type=150 (RBDIHS) 67 69 89 91 39: 154 type=151 (RBDIHS) 71 69 89 91 39: 155 type=148 (RBDIHS) 69 71 74 75 39: 156 type=148 (RBDIHS) 69 71 74 76 39: 157 type=152 (RBDIHS) 69 71 74 77 39: 158 type=148 (RBDIHS) 72 71 74 75 39: 159 type=148 (RBDIHS) 72 71 74 76 39: 160 type=148 (RBDIHS) 72 71 74 77 39: 161 type=148 (RBDIHS) 73 71 74 75 39: 162 type=148 (RBDIHS) 73 71 74 76 39: 163 type=148 (RBDIHS) 73 71 74 77 39: 164 type=148 (RBDIHS) 71 74 77 78 39: 165 type=148 (RBDIHS) 71 74 77 79 39: 166 type=153 (RBDIHS) 71 74 77 80 39: 167 type=148 (RBDIHS) 75 74 77 78 39: 168 type=148 (RBDIHS) 75 74 77 79 39: 169 type=168 (RBDIHS) 75 74 77 80 39: 170 type=148 (RBDIHS) 76 74 77 78 39: 171 type=148 (RBDIHS) 76 74 77 79 39: 172 type=168 (RBDIHS) 76 74 77 80 39: 173 type=169 (RBDIHS) 74 77 80 81 39: 174 type=170 (RBDIHS) 74 77 80 82 39: 175 type=171 (RBDIHS) 78 77 80 82 39: 176 type=171 (RBDIHS) 79 77 80 82 39: 177 type=172 (RBDIHS) 77 80 82 83 39: 178 type=172 (RBDIHS) 77 80 82 86 39: 179 type=173 (RBDIHS) 81 80 82 83 39: 180 type=173 (RBDIHS) 81 80 82 86 39: 181 type=173 (RBDIHS) 80 82 83 84 39: 182 type=173 (RBDIHS) 80 82 83 85 39: 183 type=173 (RBDIHS) 86 82 83 84 39: 184 type=173 (RBDIHS) 86 82 83 85 39: 185 type=173 (RBDIHS) 80 82 86 87 39: 186 type=173 (RBDIHS) 80 82 86 88 39: 187 type=173 (RBDIHS) 83 82 86 87 39: 188 type=173 (RBDIHS) 83 82 86 88 39: 189 type=155 (RBDIHS) 69 89 91 92 39: 190 type=156 (RBDIHS) 69 89 91 93 39: 191 type=155 (RBDIHS) 90 89 91 92 39: 192 type=157 (RBDIHS) 90 89 91 93 39: 193 type=158 (RBDIHS) 89 91 93 95 39: 194 type=159 (RBDIHS) 89 91 93 100 39: 195 type=174 (RBDIHS) 91 93 95 98 39: 196 type=175 (RBDIHS) 100 93 95 98 39: 197 type=147 (RBDIHS) 91 93 95 96 39: 198 type=147 (RBDIHS) 91 93 95 97 39: 199 type=148 (RBDIHS) 94 93 95 96 39: 200 type=148 (RBDIHS) 94 93 95 97 39: 201 type=176 (RBDIHS) 94 93 95 98 39: 202 type=149 (RBDIHS) 100 93 95 96 39: 203 type=149 (RBDIHS) 100 93 95 97 39: 204 type=150 (RBDIHS) 91 93 100 102 39: 205 type=151 (RBDIHS) 95 93 100 102 39: 206 type=177 (RBDIHS) 93 95 98 99 39: 207 type=178 (RBDIHS) 96 95 98 99 39: 208 type=178 (RBDIHS) 97 95 98 99 39: 209 type=155 (RBDIHS) 93 100 102 103 39: 210 type=156 (RBDIHS) 93 100 102 104 39: 211 type=155 (RBDIHS) 101 100 102 103 39: 212 type=157 (RBDIHS) 101 100 102 104 39: 213 type=158 (RBDIHS) 100 102 104 106 39: 214 type=159 (RBDIHS) 100 102 104 115 39: 215 type=179 (RBDIHS) 102 104 106 109 39: 216 type=180 (RBDIHS) 115 104 106 109 39: 217 type=147 (RBDIHS) 102 104 106 107 39: 218 type=147 (RBDIHS) 102 104 106 108 39: 219 type=148 (RBDIHS) 105 104 106 107 39: 220 type=148 (RBDIHS) 105 104 106 108 39: 221 type=148 (RBDIHS) 105 104 106 109 39: 222 type=149 (RBDIHS) 115 104 106 107 39: 223 type=149 (RBDIHS) 115 104 106 108 39: 224 type=150 (RBDIHS) 102 104 115 117 39: 225 type=151 (RBDIHS) 106 104 115 117 39: 226 type=148 (RBDIHS) 104 106 109 110 39: 227 type=148 (RBDIHS) 104 106 109 111 39: 228 type=181 (RBDIHS) 104 106 109 112 39: 229 type=148 (RBDIHS) 107 106 109 110 39: 230 type=148 (RBDIHS) 107 106 109 111 39: 231 type=182 (RBDIHS) 107 106 109 112 39: 232 type=148 (RBDIHS) 108 106 109 110 39: 233 type=148 (RBDIHS) 108 106 109 111 39: 234 type=182 (RBDIHS) 108 106 109 112 39: 235 type=183 (RBDIHS) 106 109 112 113 39: 236 type=183 (RBDIHS) 106 109 112 114 39: 237 type=155 (RBDIHS) 104 115 117 118 39: 238 type=156 (RBDIHS) 104 115 117 119 39: 239 type=155 (RBDIHS) 116 115 117 118 39: 240 type=157 (RBDIHS) 116 115 117 119 39: 241 type=158 (RBDIHS) 115 117 119 121 39: 242 type=159 (RBDIHS) 115 117 119 134 39: 243 type=184 (RBDIHS) 117 119 121 124 39: 244 type=185 (RBDIHS) 134 119 121 124 39: 245 type=147 (RBDIHS) 117 119 121 122 39: 246 type=147 (RBDIHS) 117 119 121 123 39: 247 type=148 (RBDIHS) 120 119 121 122 39: 248 type=148 (RBDIHS) 120 119 121 123 39: 249 type=148 (RBDIHS) 120 119 121 124 39: 250 type=149 (RBDIHS) 134 119 121 122 39: 251 type=149 (RBDIHS) 134 119 121 123 39: 252 type=150 (RBDIHS) 117 119 134 136 39: 253 type=151 (RBDIHS) 121 119 134 136 39: 254 type=148 (RBDIHS) 119 121 124 125 39: 255 type=152 (RBDIHS) 119 121 124 126 39: 256 type=152 (RBDIHS) 119 121 124 130 39: 257 type=148 (RBDIHS) 122 121 124 125 39: 258 type=148 (RBDIHS) 122 121 124 126 39: 259 type=148 (RBDIHS) 122 121 124 130 39: 260 type=148 (RBDIHS) 123 121 124 125 39: 261 type=148 (RBDIHS) 123 121 124 126 39: 262 type=148 (RBDIHS) 123 121 124 130 39: 263 type=148 (RBDIHS) 121 124 126 127 39: 264 type=148 (RBDIHS) 121 124 126 128 39: 265 type=148 (RBDIHS) 121 124 126 129 39: 266 type=148 (RBDIHS) 125 124 126 127 39: 267 type=148 (RBDIHS) 125 124 126 128 39: 268 type=148 (RBDIHS) 125 124 126 129 39: 269 type=148 (RBDIHS) 130 124 126 127 39: 270 type=148 (RBDIHS) 130 124 126 128 39: 271 type=148 (RBDIHS) 130 124 126 129 39: 272 type=148 (RBDIHS) 121 124 130 131 39: 273 type=148 (RBDIHS) 121 124 130 132 39: 274 type=148 (RBDIHS) 121 124 130 133 39: 275 type=148 (RBDIHS) 125 124 130 131 39: 276 type=148 (RBDIHS) 125 124 130 132 39: 277 type=148 (RBDIHS) 125 124 130 133 39: 278 type=148 (RBDIHS) 126 124 130 131 39: 279 type=148 (RBDIHS) 126 124 130 132 39: 280 type=148 (RBDIHS) 126 124 130 133 39: 281 type=155 (RBDIHS) 119 134 136 137 39: 282 type=156 (RBDIHS) 119 134 136 138 39: 283 type=155 (RBDIHS) 135 134 136 137 39: 284 type=157 (RBDIHS) 135 134 136 138 39: 285 type=158 (RBDIHS) 134 136 138 140 39: 286 type=159 (RBDIHS) 134 136 138 144 39: 287 type=147 (RBDIHS) 136 138 140 141 39: 288 type=147 (RBDIHS) 136 138 140 142 39: 289 type=147 (RBDIHS) 136 138 140 143 39: 290 type=148 (RBDIHS) 139 138 140 141 39: 291 type=148 (RBDIHS) 139 138 140 142 39: 292 type=148 (RBDIHS) 139 138 140 143 39: 293 type=149 (RBDIHS) 144 138 140 141 39: 294 type=149 (RBDIHS) 144 138 140 142 39: 295 type=149 (RBDIHS) 144 138 140 143 39: 296 type=150 (RBDIHS) 136 138 144 146 39: 297 type=151 (RBDIHS) 140 138 144 146 39: 298 type=155 (RBDIHS) 138 144 146 147 39: 299 type=156 (RBDIHS) 138 144 146 148 39: 300 type=155 (RBDIHS) 145 144 146 147 39: 301 type=157 (RBDIHS) 145 144 146 148 39: 302 type=158 (RBDIHS) 144 146 148 150 39: 303 type=159 (RBDIHS) 144 146 148 154 39: 304 type=147 (RBDIHS) 146 148 150 151 39: 305 type=147 (RBDIHS) 146 148 150 152 39: 306 type=147 (RBDIHS) 146 148 150 153 39: 307 type=148 (RBDIHS) 149 148 150 151 39: 308 type=148 (RBDIHS) 149 148 150 152 39: 309 type=148 (RBDIHS) 149 148 150 153 39: 310 type=149 (RBDIHS) 154 148 150 151 39: 311 type=149 (RBDIHS) 154 148 150 152 39: 312 type=149 (RBDIHS) 154 148 150 153 39: Restricted Dih.: 39: nr: 0 39: CBT Dih.: 39: nr: 0 39: Fourier Dih.: 39: nr: 0 39: Improper Dih.: 39: nr: 0 39: Improper Dih.: 39: nr: 0 39: Tab. Dih.: 39: nr: 0 39: CMAP Dih.: 39: nr: 0 39: GB 1-2 Pol. (unused): 39: nr: 0 39: GB 1-3 Pol. (unused): 39: nr: 0 39: GB 1-4 Pol. (unused): 39: nr: 0 39: GB Polarization (unused): 39: nr: 0 39: Nonpolar Sol. (unused): 39: nr: 0 39: LJ-14: 39: nr: 1197 39: iatoms: 39: 0 type=186 (LJ14) 0 7 39: 1 type=186 (LJ14) 0 8 39: 2 type=187 (LJ14) 0 9 39: 3 type=188 (LJ14) 0 23 39: 4 type=189 (LJ14) 0 24 39: 5 type=190 (LJ14) 1 5 39: 6 type=190 (LJ14) 1 6 39: 7 type=190 (LJ14) 1 22 39: 8 type=190 (LJ14) 2 5 39: 9 type=190 (LJ14) 2 6 39: 10 type=190 (LJ14) 2 22 39: 11 type=190 (LJ14) 3 5 39: 12 type=190 (LJ14) 3 6 39: 13 type=190 (LJ14) 3 22 39: 14 type=191 (LJ14) 4 10 39: 15 type=191 (LJ14) 4 11 39: 16 type=192 (LJ14) 4 12 39: 17 type=190 (LJ14) 4 25 39: 18 type=192 (LJ14) 4 26 39: 19 type=193 (LJ14) 5 7 39: 20 type=193 (LJ14) 5 8 39: 21 type=191 (LJ14) 5 9 39: 22 type=194 (LJ14) 5 23 39: 23 type=186 (LJ14) 5 24 39: 24 type=191 (LJ14) 6 13 39: 25 type=191 (LJ14) 6 14 39: 26 type=192 (LJ14) 6 15 39: 27 type=195 (LJ14) 6 23 39: 28 type=187 (LJ14) 6 24 39: 29 type=193 (LJ14) 7 10 39: 30 type=193 (LJ14) 7 11 39: 31 type=191 (LJ14) 7 12 39: 32 type=196 (LJ14) 7 22 39: 33 type=193 (LJ14) 8 10 39: 34 type=193 (LJ14) 8 11 39: 35 type=191 (LJ14) 8 12 39: 36 type=196 (LJ14) 8 22 39: 37 type=191 (LJ14) 9 16 39: 38 type=191 (LJ14) 9 17 39: 39 type=187 (LJ14) 9 18 39: 40 type=197 (LJ14) 9 22 39: 41 type=193 (LJ14) 10 13 39: 42 type=193 (LJ14) 10 14 39: 43 type=191 (LJ14) 10 15 39: 44 type=193 (LJ14) 11 13 39: 45 type=193 (LJ14) 11 14 39: 46 type=191 (LJ14) 11 15 39: 47 type=190 (LJ14) 12 19 39: 48 type=190 (LJ14) 12 20 39: 49 type=190 (LJ14) 12 21 39: 50 type=193 (LJ14) 13 16 39: 51 type=193 (LJ14) 13 17 39: 52 type=186 (LJ14) 13 18 39: 53 type=193 (LJ14) 14 16 39: 54 type=193 (LJ14) 14 17 39: 55 type=186 (LJ14) 14 18 39: 56 type=190 (LJ14) 16 19 39: 57 type=190 (LJ14) 16 20 39: 58 type=190 (LJ14) 16 21 39: 59 type=190 (LJ14) 17 19 39: 60 type=190 (LJ14) 17 20 39: 61 type=190 (LJ14) 17 21 39: 62 type=196 (LJ14) 22 27 39: 63 type=197 (LJ14) 22 28 39: 64 type=198 (LJ14) 22 38 39: 65 type=190 (LJ14) 23 25 39: 66 type=195 (LJ14) 23 26 39: 67 type=186 (LJ14) 24 29 39: 68 type=187 (LJ14) 24 30 39: 69 type=187 (LJ14) 24 34 39: 70 type=188 (LJ14) 24 39 39: 71 type=189 (LJ14) 24 40 39: 72 type=190 (LJ14) 25 27 39: 73 type=190 (LJ14) 25 28 39: 74 type=190 (LJ14) 25 38 39: 75 type=191 (LJ14) 26 31 39: 76 type=191 (LJ14) 26 32 39: 77 type=191 (LJ14) 26 33 39: 78 type=191 (LJ14) 26 35 39: 79 type=191 (LJ14) 26 36 39: 80 type=191 (LJ14) 26 37 39: 81 type=190 (LJ14) 26 41 39: 82 type=192 (LJ14) 26 42 39: 83 type=193 (LJ14) 27 29 39: 84 type=191 (LJ14) 27 30 39: 85 type=191 (LJ14) 27 34 39: 86 type=194 (LJ14) 27 39 39: 87 type=186 (LJ14) 27 40 39: 88 type=195 (LJ14) 28 39 39: 89 type=187 (LJ14) 28 40 39: 90 type=193 (LJ14) 29 31 39: 91 type=193 (LJ14) 29 32 39: 92 type=193 (LJ14) 29 33 39: 93 type=193 (LJ14) 29 35 39: 94 type=193 (LJ14) 29 36 39: 95 type=193 (LJ14) 29 37 39: 96 type=196 (LJ14) 29 38 39: 97 type=191 (LJ14) 30 35 39: 98 type=191 (LJ14) 30 36 39: 99 type=191 (LJ14) 30 37 39: 100 type=197 (LJ14) 30 38 39: 101 type=191 (LJ14) 31 34 39: 102 type=191 (LJ14) 32 34 39: 103 type=191 (LJ14) 33 34 39: 104 type=197 (LJ14) 34 38 39: 105 type=196 (LJ14) 38 43 39: 106 type=197 (LJ14) 38 44 39: 107 type=198 (LJ14) 38 58 39: 108 type=190 (LJ14) 39 41 39: 109 type=195 (LJ14) 39 42 39: 110 type=186 (LJ14) 40 45 39: 111 type=186 (LJ14) 40 46 39: 112 type=199 (LJ14) 40 47 39: 113 type=188 (LJ14) 40 59 39: 114 type=189 (LJ14) 40 60 39: 115 type=190 (LJ14) 41 43 39: 116 type=190 (LJ14) 41 44 39: 117 type=190 (LJ14) 41 58 39: 118 type=200 (LJ14) 42 48 39: 119 type=200 (LJ14) 42 50 39: 120 type=190 (LJ14) 42 61 39: 121 type=192 (LJ14) 42 62 39: 122 type=193 (LJ14) 43 45 39: 123 type=193 (LJ14) 43 46 39: 124 type=201 (LJ14) 43 47 39: 125 type=194 (LJ14) 43 59 39: 126 type=186 (LJ14) 43 60 39: 127 type=202 (LJ14) 44 49 39: 128 type=202 (LJ14) 44 51 39: 129 type=200 (LJ14) 44 52 39: 130 type=200 (LJ14) 44 54 39: 131 type=195 (LJ14) 44 59 39: 132 type=187 (LJ14) 44 60 39: 133 type=201 (LJ14) 45 48 39: 134 type=201 (LJ14) 45 50 39: 135 type=196 (LJ14) 45 58 39: 136 type=201 (LJ14) 46 48 39: 137 type=201 (LJ14) 46 50 39: 138 type=196 (LJ14) 46 58 39: 139 type=203 (LJ14) 47 53 39: 140 type=203 (LJ14) 47 55 39: 141 type=204 (LJ14) 47 56 39: 142 type=205 (LJ14) 47 58 39: 143 type=203 (LJ14) 48 51 39: 144 type=204 (LJ14) 48 54 39: 145 type=203 (LJ14) 48 57 39: 146 type=203 (LJ14) 49 50 39: 147 type=206 (LJ14) 49 53 39: 148 type=203 (LJ14) 49 56 39: 149 type=204 (LJ14) 50 52 39: 150 type=203 (LJ14) 50 57 39: 151 type=206 (LJ14) 51 55 39: 152 type=203 (LJ14) 51 56 39: 153 type=203 (LJ14) 52 55 39: 154 type=203 (LJ14) 53 54 39: 155 type=206 (LJ14) 53 57 39: 156 type=206 (LJ14) 55 57 39: 157 type=196 (LJ14) 58 63 39: 158 type=196 (LJ14) 58 64 39: 159 type=198 (LJ14) 58 65 39: 160 type=190 (LJ14) 59 61 39: 161 type=195 (LJ14) 59 62 39: 162 type=188 (LJ14) 60 66 39: 163 type=189 (LJ14) 60 67 39: 164 type=190 (LJ14) 61 63 39: 165 type=190 (LJ14) 61 64 39: 166 type=190 (LJ14) 61 65 39: 167 type=190 (LJ14) 62 68 39: 168 type=192 (LJ14) 62 69 39: 169 type=194 (LJ14) 63 66 39: 170 type=186 (LJ14) 63 67 39: 171 type=194 (LJ14) 64 66 39: 172 type=186 (LJ14) 64 67 39: 173 type=196 (LJ14) 65 70 39: 174 type=197 (LJ14) 65 71 39: 175 type=198 (LJ14) 65 89 39: 176 type=190 (LJ14) 66 68 39: 177 type=195 (LJ14) 66 69 39: 178 type=186 (LJ14) 67 72 39: 179 type=186 (LJ14) 67 73 39: 180 type=187 (LJ14) 67 74 39: 181 type=188 (LJ14) 67 90 39: 182 type=189 (LJ14) 67 91 39: 183 type=190 (LJ14) 68 70 39: 184 type=190 (LJ14) 68 71 39: 185 type=190 (LJ14) 68 89 39: 186 type=191 (LJ14) 69 75 39: 187 type=191 (LJ14) 69 76 39: 188 type=192 (LJ14) 69 77 39: 189 type=190 (LJ14) 69 92 39: 190 type=192 (LJ14) 69 93 39: 191 type=193 (LJ14) 70 72 39: 192 type=193 (LJ14) 70 73 39: 193 type=191 (LJ14) 70 74 39: 194 type=194 (LJ14) 70 90 39: 195 type=186 (LJ14) 70 91 39: 196 type=191 (LJ14) 71 78 39: 197 type=191 (LJ14) 71 79 39: 198 type=187 (LJ14) 71 80 39: 199 type=195 (LJ14) 71 90 39: 200 type=187 (LJ14) 71 91 39: 201 type=193 (LJ14) 72 75 39: 202 type=193 (LJ14) 72 76 39: 203 type=191 (LJ14) 72 77 39: 204 type=196 (LJ14) 72 89 39: 205 type=193 (LJ14) 73 75 39: 206 type=193 (LJ14) 73 76 39: 207 type=191 (LJ14) 73 77 39: 208 type=196 (LJ14) 73 89 39: 209 type=190 (LJ14) 74 81 39: 210 type=207 (LJ14) 74 82 39: 211 type=197 (LJ14) 74 89 39: 212 type=193 (LJ14) 75 78 39: 213 type=193 (LJ14) 75 79 39: 214 type=186 (LJ14) 75 80 39: 215 type=193 (LJ14) 76 78 39: 216 type=193 (LJ14) 76 79 39: 217 type=186 (LJ14) 76 80 39: 218 type=187 (LJ14) 77 83 39: 219 type=187 (LJ14) 77 86 39: 220 type=190 (LJ14) 78 81 39: 221 type=208 (LJ14) 78 82 39: 222 type=190 (LJ14) 79 81 39: 223 type=208 (LJ14) 79 82 39: 224 type=190 (LJ14) 80 84 39: 225 type=190 (LJ14) 80 85 39: 226 type=190 (LJ14) 80 87 39: 227 type=190 (LJ14) 80 88 39: 228 type=190 (LJ14) 81 83 39: 229 type=190 (LJ14) 81 86 39: 230 type=190 (LJ14) 83 87 39: 231 type=190 (LJ14) 83 88 39: 232 type=190 (LJ14) 84 86 39: 233 type=190 (LJ14) 85 86 39: 234 type=196 (LJ14) 89 94 39: 235 type=197 (LJ14) 89 95 39: 236 type=198 (LJ14) 89 100 39: 237 type=190 (LJ14) 90 92 39: 238 type=195 (LJ14) 90 93 39: 239 type=186 (LJ14) 91 96 39: 240 type=186 (LJ14) 91 97 39: 241 type=209 (LJ14) 91 98 39: 242 type=188 (LJ14) 91 101 39: 243 type=189 (LJ14) 91 102 39: 244 type=190 (LJ14) 92 94 39: 245 type=190 (LJ14) 92 95 39: 246 type=190 (LJ14) 92 100 39: 247 type=190 (LJ14) 93 99 39: 248 type=190 (LJ14) 93 103 39: 249 type=192 (LJ14) 93 104 39: 250 type=193 (LJ14) 94 96 39: 251 type=193 (LJ14) 94 97 39: 252 type=210 (LJ14) 94 98 39: 253 type=194 (LJ14) 94 101 39: 254 type=186 (LJ14) 94 102 39: 255 type=195 (LJ14) 95 101 39: 256 type=187 (LJ14) 95 102 39: 257 type=190 (LJ14) 96 99 39: 258 type=196 (LJ14) 96 100 39: 259 type=190 (LJ14) 97 99 39: 260 type=196 (LJ14) 97 100 39: 261 type=211 (LJ14) 98 100 39: 262 type=196 (LJ14) 100 105 39: 263 type=197 (LJ14) 100 106 39: 264 type=198 (LJ14) 100 115 39: 265 type=190 (LJ14) 101 103 39: 266 type=195 (LJ14) 101 104 39: 267 type=186 (LJ14) 102 107 39: 268 type=186 (LJ14) 102 108 39: 269 type=187 (LJ14) 102 109 39: 270 type=188 (LJ14) 102 116 39: 271 type=189 (LJ14) 102 117 39: 272 type=190 (LJ14) 103 105 39: 273 type=190 (LJ14) 103 106 39: 274 type=190 (LJ14) 103 115 39: 275 type=191 (LJ14) 104 110 39: 276 type=191 (LJ14) 104 111 39: 277 type=197 (LJ14) 104 112 39: 278 type=190 (LJ14) 104 118 39: 279 type=192 (LJ14) 104 119 39: 280 type=193 (LJ14) 105 107 39: 281 type=193 (LJ14) 105 108 39: 282 type=191 (LJ14) 105 109 39: 283 type=194 (LJ14) 105 116 39: 284 type=186 (LJ14) 105 117 39: 285 type=195 (LJ14) 106 113 39: 286 type=195 (LJ14) 106 114 39: 287 type=195 (LJ14) 106 116 39: 288 type=187 (LJ14) 106 117 39: 289 type=193 (LJ14) 107 110 39: 290 type=193 (LJ14) 107 111 39: 291 type=196 (LJ14) 107 112 39: 292 type=196 (LJ14) 107 115 39: 293 type=193 (LJ14) 108 110 39: 294 type=193 (LJ14) 108 111 39: 295 type=196 (LJ14) 108 112 39: 296 type=196 (LJ14) 108 115 39: 297 type=197 (LJ14) 109 115 39: 298 type=194 (LJ14) 110 113 39: 299 type=194 (LJ14) 110 114 39: 300 type=194 (LJ14) 111 113 39: 301 type=194 (LJ14) 111 114 39: 302 type=196 (LJ14) 115 120 39: 303 type=197 (LJ14) 115 121 39: 304 type=198 (LJ14) 115 134 39: 305 type=190 (LJ14) 116 118 39: 306 type=195 (LJ14) 116 119 39: 307 type=186 (LJ14) 117 122 39: 308 type=186 (LJ14) 117 123 39: 309 type=187 (LJ14) 117 124 39: 310 type=188 (LJ14) 117 135 39: 311 type=189 (LJ14) 117 136 39: 312 type=190 (LJ14) 118 120 39: 313 type=190 (LJ14) 118 121 39: 314 type=190 (LJ14) 118 134 39: 315 type=191 (LJ14) 119 125 39: 316 type=192 (LJ14) 119 126 39: 317 type=192 (LJ14) 119 130 39: 318 type=190 (LJ14) 119 137 39: 319 type=192 (LJ14) 119 138 39: 320 type=193 (LJ14) 120 122 39: 321 type=193 (LJ14) 120 123 39: 322 type=191 (LJ14) 120 124 39: 323 type=194 (LJ14) 120 135 39: 324 type=186 (LJ14) 120 136 39: 325 type=191 (LJ14) 121 127 39: 326 type=191 (LJ14) 121 128 39: 327 type=191 (LJ14) 121 129 39: 328 type=191 (LJ14) 121 131 39: 329 type=191 (LJ14) 121 132 39: 330 type=191 (LJ14) 121 133 39: 331 type=195 (LJ14) 121 135 39: 332 type=187 (LJ14) 121 136 39: 333 type=193 (LJ14) 122 125 39: 334 type=191 (LJ14) 122 126 39: 335 type=191 (LJ14) 122 130 39: 336 type=196 (LJ14) 122 134 39: 337 type=193 (LJ14) 123 125 39: 338 type=191 (LJ14) 123 126 39: 339 type=191 (LJ14) 123 130 39: 340 type=196 (LJ14) 123 134 39: 341 type=197 (LJ14) 124 134 39: 342 type=193 (LJ14) 125 127 39: 343 type=193 (LJ14) 125 128 39: 344 type=193 (LJ14) 125 129 39: 345 type=193 (LJ14) 125 131 39: 346 type=193 (LJ14) 125 132 39: 347 type=193 (LJ14) 125 133 39: 348 type=191 (LJ14) 126 131 39: 349 type=191 (LJ14) 126 132 39: 350 type=191 (LJ14) 126 133 39: 351 type=191 (LJ14) 127 130 39: 352 type=191 (LJ14) 128 130 39: 353 type=191 (LJ14) 129 130 39: 354 type=196 (LJ14) 134 139 39: 355 type=197 (LJ14) 134 140 39: 356 type=198 (LJ14) 134 144 39: 357 type=190 (LJ14) 135 137 39: 358 type=195 (LJ14) 135 138 39: 359 type=186 (LJ14) 136 141 39: 360 type=186 (LJ14) 136 142 39: 361 type=186 (LJ14) 136 143 39: 362 type=188 (LJ14) 136 145 39: 363 type=189 (LJ14) 136 146 39: 364 type=190 (LJ14) 137 139 39: 365 type=190 (LJ14) 137 140 39: 366 type=190 (LJ14) 137 144 39: 367 type=190 (LJ14) 138 147 39: 368 type=192 (LJ14) 138 148 39: 369 type=193 (LJ14) 139 141 39: 370 type=193 (LJ14) 139 142 39: 371 type=193 (LJ14) 139 143 39: 372 type=194 (LJ14) 139 145 39: 373 type=186 (LJ14) 139 146 39: 374 type=195 (LJ14) 140 145 39: 375 type=187 (LJ14) 140 146 39: 376 type=196 (LJ14) 141 144 39: 377 type=196 (LJ14) 142 144 39: 378 type=196 (LJ14) 143 144 39: 379 type=196 (LJ14) 144 149 39: 380 type=197 (LJ14) 144 150 39: 381 type=198 (LJ14) 144 154 39: 382 type=190 (LJ14) 145 147 39: 383 type=195 (LJ14) 145 148 39: 384 type=186 (LJ14) 146 151 39: 385 type=186 (LJ14) 146 152 39: 386 type=186 (LJ14) 146 153 39: 387 type=188 (LJ14) 146 155 39: 388 type=190 (LJ14) 147 149 39: 389 type=190 (LJ14) 147 150 39: 390 type=190 (LJ14) 147 154 39: 391 type=193 (LJ14) 149 151 39: 392 type=193 (LJ14) 149 152 39: 393 type=193 (LJ14) 149 153 39: 394 type=194 (LJ14) 149 155 39: 395 type=195 (LJ14) 150 155 39: 396 type=196 (LJ14) 151 154 39: 397 type=196 (LJ14) 152 154 39: 398 type=196 (LJ14) 153 154 39: Coulomb-14: 39: nr: 0 39: LJC-14 q: 39: nr: 0 39: LJC Pairs NB: 39: nr: 0 39: LJ (SR): 39: nr: 0 39: Buck.ham (SR): 39: nr: 0 39: LJ (unused): 39: nr: 0 39: B.ham (unused): 39: nr: 0 39: Disper. corr.: 39: nr: 0 39: Coulomb (SR): 39: nr: 0 39: Coul (unused): 39: nr: 0 39: RF excl.: 39: nr: 0 39: Coul. recip.: 39: nr: 0 39: LJ recip.: 39: nr: 0 39: DPD: 39: nr: 0 39: Polarization: 39: nr: 0 39: Water Pol.: 39: nr: 0 39: Thole Pol.: 39: nr: 0 39: Anharm. Pol.: 39: nr: 0 39: Position Rest.: 39: nr: 0 39: Flat-bottom posres: 39: nr: 0 39: Dis. Rest.: 39: nr: 0 39: D.R.Viol. (nm): 39: nr: 0 39: Orient. Rest.: 39: nr: 0 39: Ori. R. RMSD: 39: nr: 0 39: Angle Rest.: 39: nr: 0 39: Angle Rest. Z: 39: nr: 0 39: Dih. Rest.: 39: nr: 0 39: Dih. Rest. Viol.: 39: nr: 0 39: Constraint: 39: nr: 0 39: Constr. No Conn.: 39: nr: 0 39: Settle: 39: nr: 0 39: Virtual site 2: 39: nr: 0 39: Virtual site 2fd: 39: nr: 0 39: Virtual site 3: 39: nr: 0 39: Virtual site 3fd: 39: nr: 0 39: Virtual site 3fad: 39: nr: 0 39: Virtual site 3out: 39: nr: 0 39: Virtual site 4fd: 39: nr: 0 39: Virtual site 4fdn: 39: nr: 0 39: Virtual site N: 39: nr: 0 39: COM Pull En.: 39: nr: 0 39: Density fitting: 39: nr: 0 39: Quantum En.: 39: nr: 0 39: Potential: 39: nr: 0 39: Kinetic En.: 39: nr: 0 39: Total Energy: 39: nr: 0 39: Conserved En.: 39: nr: 0 39: Temperature: 39: nr: 0 39: Vir. Temp. (not used): 39: nr: 0 39: Pres. DC: 39: nr: 0 39: Pressure: 39: nr: 0 39: dH/dl constr.: 39: nr: 0 39: dVremain/dl: 39: nr: 0 39: dEkin/dl: 39: nr: 0 39: dVcoul/dl: 39: nr: 0 39: dVvdw/dl: 39: nr: 0 39: dVbonded/dl: 39: nr: 0 39: dVrestraint/dl: 39: nr: 0 39: dVtemperature/dl: 39: nr: 0 39: grp[T-Coupling ] nr=1, name=[ rest] 39: grp[Energy Mon. ] nr=1, name=[ rest] 39: grp[Acceleration] nr=1, name=[ rest] 39: grp[Freeze ] nr=1, name=[ rest] 39: grp[User1 ] nr=1, name=[ rest] 39: grp[User2 ] nr=1, name=[ rest] 39: grp[VCM ] nr=1, name=[ rest] 39: grp[Compressed X] nr=1, name=[ rest] 39: grp[Or. Res. Fit] nr=1, name=[ rest] 39: grp[QMMM ] nr=1, name=[ rest] 39: grpname (11): 39: grpname[0]={name="System"} 39: grpname[1]={name="Protein"} 39: grpname[2]={name="Protein-H"} 39: grpname[3]={name="C-alpha"} 39: grpname[4]={name="Backbone"} 39: grpname[5]={name="MainChain"} 39: grpname[6]={name="MainChain+Cb"} 39: grpname[7]={name="MainChain+H"} 39: grpname[8]={name="SideChain"} 39: grpname[9]={name="SideChain-H"} 39: grpname[10]={name="rest"} 39: groups T-Cou Energ Accel Freez User1 User2 VCM Compr Or. R QMMM 39: allocated 0 0 0 0 0 0 0 0 0 0 39: groupnr[ *] = 0 0 0 0 0 0 0 0 0 0 39: box (3x3): 39: box[ 0]={ 5.90620e+00, 0.00000e+00, 0.00000e+00} 39: box[ 1]={ 0.00000e+00, 6.84510e+00, 0.00000e+00} 39: box[ 2]={ 0.00000e+00, 0.00000e+00, 3.05170e+00} 39: box_rel (3x3): 39: box_rel[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: box_rel[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: box_rel[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: boxv (3x3): 39: boxv[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: boxv[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: boxv[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: pres_prev (3x3): 39: pres_prev[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: pres_prev[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: pres_prev[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: svir_prev (3x3): 39: svir_prev[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: svir_prev[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: svir_prev[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: fvir_prev (3x3): 39: fvir_prev[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: fvir_prev[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: fvir_prev[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: nosehoover_xi: not available 39: x (156x3): 39: x[ 0]={ 3.53600e+00, 2.23400e+00, -1.19800e+00} 39: x[ 1]={ 3.61200e+00, 2.28800e+00, -1.23600e+00} 39: x[ 2]={ 3.47000e+00, 2.21400e+00, -1.27000e+00} 39: x[ 3]={ 3.49200e+00, 2.28600e+00, -1.12500e+00} 39: x[ 4]={ 3.58900e+00, 2.10700e+00, -1.14300e+00} 39: x[ 5]={ 3.63300e+00, 2.05500e+00, -1.21600e+00} 39: x[ 6]={ 3.68700e+00, 2.14400e+00, -1.03100e+00} 39: x[ 7]={ 3.76300e+00, 2.19500e+00, -1.07000e+00} 39: x[ 8]={ 3.63900e+00, 2.20100e+00, -9.64000e-01} 39: x[ 9]={ 3.74500e+00, 2.02500e+00, -9.56000e-01} 39: x[ 10]={ 3.67600e+00, 1.98900e+00, -8.94000e-01} 39: x[ 11]={ 3.77000e+00, 1.95400e+00, -1.02300e+00} 39: x[ 12]={ 3.86900e+00, 2.06500e+00, -8.77000e-01} 39: x[ 13]={ 3.94500e+00, 2.08300e+00, -9.40000e-01} 39: x[ 14]={ 3.84900e+00, 2.14700e+00, -8.24000e-01} 39: x[ 15]={ 3.90600e+00, 1.95100e+00, -7.84000e-01} 39: x[ 16]={ 3.84100e+00, 1.94600e+00, -7.08000e-01} 39: x[ 17]={ 3.90600e+00, 1.86400e+00, -8.33000e-01} 39: x[ 18]={ 4.04200e+00, 1.97700e+00, -7.30000e-01} 39: x[ 19]={ 4.06900e+00, 1.90300e+00, -6.68000e-01} 39: x[ 20]={ 4.10800e+00, 1.98200e+00, -8.06000e-01} 39: x[ 21]={ 4.04200e+00, 2.06400e+00, -6.80000e-01} 39: x[ 22]={ 3.47400e+00, 2.02600e+00, -1.08400e+00} 39: x[ 23]={ 3.39500e+00, 2.08100e+00, -1.00800e+00} 39: x[ 24]={ 3.47400e+00, 1.89600e+00, -1.10400e+00} 39: x[ 25]={ 3.53600e+00, 1.86000e+00, -1.17400e+00} 39: x[ 26]={ 3.39000e+00, 1.80000e+00, -1.03300e+00} 39: x[ 27]={ 3.31700e+00, 1.85200e+00, -9.90000e-01} 39: x[ 28]={ 3.31400e+00, 1.70300e+00, -1.12300e+00} 39: x[ 29]={ 3.38600e+00, 1.65200e+00, -1.17000e+00} 39: x[ 30]={ 3.22500e+00, 1.60800e+00, -1.04300e+00} 39: x[ 31]={ 3.17700e+00, 1.54700e+00, -1.10600e+00} 39: x[ 32]={ 3.28200e+00, 1.55500e+00, -9.81000e-01} 39: x[ 33]={ 3.15800e+00, 1.66100e+00, -9.91000e-01} 39: x[ 34]={ 3.22900e+00, 1.77100e+00, -1.22900e+00} 39: x[ 35]={ 3.18300e+00, 1.70200e+00, -1.28400e+00} 39: x[ 36]={ 3.16200e+00, 1.83000e+00, -1.18500e+00} 39: x[ 37]={ 3.28800e+00, 1.82700e+00, -1.28800e+00} 39: x[ 38]={ 3.48000e+00, 1.73100e+00, -9.29000e-01} 39: x[ 39]={ 3.57600e+00, 1.66100e+00, -9.66000e-01} 39: x[ 40]={ 3.44900e+00, 1.75500e+00, -8.04000e-01} 39: x[ 41]={ 3.37500e+00, 1.81900e+00, -7.84000e-01} 39: x[ 42]={ 3.51900e+00, 1.69000e+00, -6.92000e-01} 39: x[ 43]={ 3.61500e+00, 1.69700e+00, -7.17000e-01} 39: x[ 44]={ 3.49700e+00, 1.76300e+00, -5.59000e-01} 39: x[ 45]={ 3.40500e+00, 1.80200e+00, -5.58000e-01} 39: x[ 46]={ 3.50600e+00, 1.69800e+00, -4.84000e-01} 39: x[ 47]={ 3.59400e+00, 1.87400e+00, -5.38000e-01} 39: x[ 48]={ 3.56700e+00, 2.00500e+00, -5.80000e-01} 39: x[ 49]={ 3.48100e+00, 2.02500e+00, -6.27000e-01} 39: x[ 50]={ 3.70000e+00, 1.85600e+00, -4.47000e-01} 39: x[ 51]={ 3.71300e+00, 1.76600e+00, -4.05000e-01} 39: x[ 52]={ 3.65800e+00, 2.10800e+00, -5.57000e-01} 39: x[ 53]={ 3.64800e+00, 2.19500e+00, -6.04000e-01} 39: x[ 54]={ 3.78700e+00, 1.95900e+00, -4.16000e-01} 39: x[ 55]={ 3.86600e+00, 1.94200e+00, -3.57000e-01} 39: x[ 56]={ 3.76400e+00, 2.08700e+00, -4.67000e-01} 39: x[ 57]={ 3.82200e+00, 2.16400e+00, -4.39000e-01} 39: x[ 58]={ 3.47400e+00, 1.54400e+00, -6.77000e-01} 39: x[ 59]={ 3.35200e+00, 1.51600e+00, -6.86000e-01} 39: x[ 60]={ 3.57200e+00, 1.46400e+00, -6.33000e-01} 39: x[ 61]={ 3.66700e+00, 1.49500e+00, -6.32000e-01} 39: x[ 62]={ 3.53700e+00, 1.32800e+00, -5.87000e-01} 39: x[ 63]={ 3.46200e+00, 1.29200e+00, -6.43000e-01} 39: x[ 64]={ 3.61600e+00, 1.26800e+00, -5.94000e-01} 39: x[ 65]={ 3.49200e+00, 1.34200e+00, -4.42000e-01} 39: x[ 66]={ 3.53000e+00, 1.44000e+00, -3.78000e-01} 39: x[ 67]={ 3.40500e+00, 1.25400e+00, -3.97000e-01} 39: x[ 68]={ 3.37100e+00, 1.18400e+00, -4.60000e-01} 39: x[ 69]={ 3.35600e+00, 1.25400e+00, -2.59000e-01} 39: x[ 70]={ 3.29800e+00, 1.33400e+00, -2.52000e-01} 39: x[ 71]={ 3.27600e+00, 1.12600e+00, -2.33000e-01} 39: x[ 72]={ 3.20000e+00, 1.12200e+00, -2.97000e-01} 39: x[ 73]={ 3.33600e+00, 1.04700e+00, -2.47000e-01} 39: x[ 74]={ 3.22100e+00, 1.12000e+00, -9.20000e-02} 39: x[ 75]={ 3.29700e+00, 1.11700e+00, -2.70000e-02} 39: x[ 76]={ 3.16500e+00, 1.20100e+00, -7.50000e-02} 39: x[ 77]={ 3.13800e+00, 1.00000e+00, -7.20000e-02} 39: x[ 78]={ 3.10400e+00, 9.99000e-01, 2.20000e-02} 39: x[ 79]={ 3.06000e+00, 1.00500e+00, -1.35000e-01} 39: x[ 80]={ 3.20600e+00, 8.75000e-01, -9.60000e-02} 39: x[ 81]={ 3.20200e+00, 8.40000e-01, -1.89000e-01} 39: x[ 82]={ 3.27300e+00, 8.01000e-01, -1.00000e-02} 39: x[ 83]={ 3.28400e+00, 8.33000e-01, 1.19000e-01} 39: x[ 84]={ 3.23900e+00, 9.16000e-01, 1.53000e-01} 39: x[ 85]={ 3.33600e+00, 7.75000e-01, 1.81000e-01} 39: x[ 86]={ 3.32500e+00, 6.84000e-01, -5.30000e-02} 39: x[ 87]={ 3.31100e+00, 6.55000e-01, -1.47000e-01} 39: x[ 88]={ 3.37600e+00, 6.26000e-01, 1.00000e-02} 39: x[ 89]={ 3.46700e+00, 1.27300e+00, -1.56000e-01} 39: x[ 90]={ 3.46700e+00, 1.36500e+00, -7.00000e-02} 39: x[ 91]={ 3.56700e+00, 1.18500e+00, -1.61000e-01} 39: x[ 92]={ 3.56700e+00, 1.11600e+00, -2.33000e-01} 39: x[ 93]={ 3.67800e+00, 1.18700e+00, -6.50000e-02} 39: x[ 94]={ 3.63100e+00, 1.20200e+00, 2.20000e-02} 39: x[ 95]={ 3.74900e+00, 1.05300e+00, -6.20000e-02} 39: x[ 96]={ 3.77000e+00, 1.03400e+00, -1.58000e-01} 39: x[ 97]={ 3.83400e+00, 1.07200e+00, -1.30000e-02} 39: x[ 98]={ 3.65400e+00, 9.20000e-01, 1.40000e-02} 39: x[ 99]={ 3.70750e+00, 8.35500e-01, 1.20000e-02} 39: x[ 100]={ 3.77500e+00, 1.30500e+00, -7.80000e-02} 39: x[ 101]={ 3.81500e+00, 1.36100e+00, 2.60000e-02} 39: x[ 102]={ 3.78600e+00, 1.34800e+00, -2.02000e-01} 39: x[ 103]={ 3.74000e+00, 1.30000e+00, -2.76000e-01} 39: x[ 104]={ 3.86800e+00, 1.46900e+00, -2.31000e-01} 39: x[ 105]={ 3.96000e+00, 1.45500e+00, -1.93000e-01} 39: x[ 106]={ 3.87800e+00, 1.48500e+00, -3.82000e-01} 39: x[ 107]={ 3.92300e+00, 1.40200e+00, -4.17000e-01} 39: x[ 108]={ 3.78500e+00, 1.48900e+00, -4.17000e-01} 39: x[ 109]={ 3.95400e+00, 1.60500e+00, -4.38000e-01} 39: x[ 110]={ 3.91300e+00, 1.68700e+00, -3.99000e-01} 39: x[ 111]={ 4.04900e+00, 1.59800e+00, -4.07000e-01} 39: x[ 112]={ 3.95800e+00, 1.62400e+00, -5.87000e-01} 39: x[ 113]={ 3.86700e+00, 1.56400e+00, -6.49000e-01} 39: x[ 114]={ 4.04200e+00, 1.69500e+00, -6.38000e-01} 39: x[ 115]={ 3.80500e+00, 1.59300e+00, -1.66000e-01} 39: x[ 116]={ 3.87400e+00, 1.67300e+00, -1.01000e-01} 39: x[ 117]={ 3.67400e+00, 1.60500e+00, -1.82000e-01} 39: x[ 118]={ 3.62600e+00, 1.53500e+00, -2.35000e-01} 39: x[ 119]={ 3.59600e+00, 1.71600e+00, -1.25000e-01} 39: x[ 120]={ 3.64000e+00, 1.80100e+00, -1.56000e-01} 39: x[ 121]={ 3.45300e+00, 1.71700e+00, -1.81000e-01} 39: x[ 122]={ 3.45700e+00, 1.72200e+00, -2.81000e-01} 39: x[ 123]={ 3.40600e+00, 1.63300e+00, -1.53000e-01} 39: x[ 124]={ 3.37200e+00, 1.83500e+00, -1.31000e-01} 39: x[ 125]={ 3.37800e+00, 1.84200e+00, -3.10000e-02} 39: x[ 126]={ 3.43000e+00, 1.96600e+00, -1.84000e-01} 39: x[ 127]={ 3.37600e+00, 2.04300e+00, -1.50000e-01} 39: x[ 128]={ 3.52400e+00, 1.97500e+00, -1.53000e-01} 39: x[ 129]={ 3.42700e+00, 1.96500e+00, -2.84000e-01} 39: x[ 130]={ 3.22500e+00, 1.81400e+00, -1.60000e-01} 39: x[ 131]={ 3.17200e+00, 1.89300e+00, -1.26000e-01} 39: x[ 132]={ 3.21100e+00, 1.80500e+00, -2.58000e-01} 39: x[ 133]={ 3.19300e+00, 1.73100e+00, -1.14000e-01} 39: x[ 134]={ 3.60500e+00, 1.71300e+00, 2.70000e-02} 39: x[ 135]={ 3.61600e+00, 1.81700e+00, 9.20000e-02} 39: x[ 136]={ 3.57500e+00, 1.59800e+00, 8.30000e-02} 39: x[ 137]={ 3.54600e+00, 1.52200e+00, 2.40000e-02} 39: x[ 138]={ 3.58400e+00, 1.57600e+00, 2.28000e-01} 39: x[ 139]={ 3.50800e+00, 1.62600e+00, 2.69000e-01} 39: x[ 140]={ 3.56600e+00, 1.42900e+00, 2.62000e-01} 39: x[ 141]={ 3.57200e+00, 1.41600e+00, 3.61000e-01} 39: x[ 142]={ 3.47600e+00, 1.39800e+00, 2.30000e-01} 39: x[ 143]={ 3.63700e+00, 1.37500e+00, 2.18000e-01} 39: x[ 144]={ 3.71400e+00, 1.63100e+00, 2.84000e-01} 39: x[ 145]={ 3.71500e+00, 1.69800e+00, 3.90000e-01} 39: x[ 146]={ 3.82700e+00, 1.59800e+00, 2.20000e-01} 39: x[ 147]={ 3.82000e+00, 1.53900e+00, 1.40000e-01} 39: x[ 148]={ 3.96100e+00, 1.64300e+00, 2.62000e-01} 39: x[ 149]={ 3.96900e+00, 1.61900e+00, 3.58000e-01} 39: x[ 150]={ 4.07100e+00, 1.57100e+00, 1.84000e-01} 39: x[ 151]={ 4.16000e+00, 1.60300e+00, 2.15000e-01} 39: x[ 152]={ 4.06400e+00, 1.47200e+00, 2.01000e-01} 39: x[ 153]={ 4.06000e+00, 1.58900e+00, 8.60000e-02} 39: x[ 154]={ 3.97400e+00, 1.79400e+00, 2.46000e-01} 39: x[ 155]={ 4.01900e+00, 1.85000e+00, 3.47000e-01} 39: v (156x3): 39: v[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 3]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 4]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 5]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 6]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 7]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 8]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 9]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 10]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 11]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 12]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 13]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 14]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 15]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 16]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 17]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 18]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 19]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 20]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 21]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 22]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 23]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 24]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 25]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 26]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 27]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 28]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 29]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 30]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 31]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 32]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 33]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 34]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 35]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 36]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 37]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 38]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 39]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 40]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 41]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 42]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 43]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 44]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 45]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 46]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 47]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 48]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 49]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 50]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 51]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 52]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 53]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 54]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 55]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 56]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 57]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 58]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 59]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 60]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 61]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 62]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 63]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 64]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 65]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 66]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 67]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 68]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 69]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 70]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 71]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 72]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 73]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 74]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 75]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 76]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 77]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 78]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 79]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 80]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 81]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 82]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 83]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 84]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 85]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 86]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 87]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 88]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 89]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 90]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 91]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 92]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 93]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 94]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 95]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 96]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 97]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 98]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 99]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 100]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 101]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 102]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 103]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 104]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 105]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 106]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 107]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 108]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 109]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 110]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 111]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 112]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 113]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 114]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 115]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 116]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 117]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 118]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 119]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 120]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 121]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 122]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 123]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 124]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 125]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 126]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 127]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 128]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 129]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 130]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 131]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 132]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 133]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 134]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 135]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 136]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 137]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 138]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 139]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 140]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 141]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 142]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 143]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 144]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 145]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 146]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 147]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 148]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 149]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 150]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 151]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 152]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 153]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 154]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 155]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: Group statistics 39: T-Coupling : 156 (total 156 atoms) 39: Energy Mon. : 156 (total 156 atoms) 39: Acceleration: 156 (total 156 atoms) 39: Freeze : 156 (total 156 atoms) 39: User1 : 156 (total 156 atoms) 39: User2 : 156 (total 156 atoms) 39: VCM : 156 (total 156 atoms) 39: Compressed X: 156 (total 156 atoms) 39: Or. Res. Fit: 156 (total 156 atoms) 39: QMMM : 156 (total 156 atoms) 39: [ OK ] DumpTest.WorksWithTpr (15 ms) 39: [ RUN ] DumpTest.WorksWithTprAndMdpWriting 39: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 39: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 39: [ OK ] DumpTest.WorksWithTprAndMdpWriting (1 ms) 39: [----------] 2 tests from DumpTest (16 ms total) 39: 39: [----------] 4 tests from ReportMethodsTest 39: 39: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/ReportMethodsTest_lysozyme.mdp]: 39: For a correct single-point energy evaluation with nsteps = 0, use 39: continuation = yes to avoid constraining the input coordinates. 39: 39: Setting the LD random seed to -696295839 39: Generated 330891 of the 330891 non-bonded parameter combinations 39: Generating 1-4 interactions: fudge = 0.5 39: Generated 330891 of the 330891 1-4 parameter combinations 39: Excluding 3 bonded neighbours molecule type 'Protein_chain_B' 39: 39: NOTE 2 [file lysozyme.top, line 1465]: 39: System has non-zero total charge: 2.000000 39: Total charge should normally be an integer. See 39: http://www.gromacs.org/Documentation/Floating_Point_Arithmetic 39: for discussion on how close it should be to an integer. 39: 39: 39: 39: Number of degrees of freedom in T-Coupling group rest is 465.00 39: 39: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/ReportMethodsTest_lysozyme.mdp]: 39: NVE simulation with an initial temperature of zero: will use a Verlet 39: buffer of 10%. Check your energy drift! 39: 39: 39: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/ReportMethodsTest_lysozyme.mdp]: 39: You are using a plain Coulomb cut-off, which might produce artifacts. 39: You might want to consider using PME electrostatics. 39: 39: 39: 39: There were 4 notes 39: Analysing residue names: 39: There are: 10 Protein residues 39: Analysing Protein... 39: This run will generate roughly 0 Mb of data 39: [ RUN ] ReportMethodsTest.WritesCorrectHeadersFormated 39: [ OK ] ReportMethodsTest.WritesCorrectHeadersFormated (0 ms) 39: [ RUN ] ReportMethodsTest.WritesCorrectHeadersUnformatted 39: [ OK ] ReportMethodsTest.WritesCorrectHeadersUnformatted (0 ms) 39: [ RUN ] ReportMethodsTest.WritesCorrectInformation 39: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/ReportMethodsTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 39: [ OK ] ReportMethodsTest.WritesCorrectInformation (53 ms) 39: [ RUN ] ReportMethodsTest.ToolEndToEndTest 39: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/gromacs/tools/tests/Testing/Temporary/ReportMethodsTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 39: section: Methods 39: subsection: Simulation system 39: A system of 1 molecules (156 atoms) was simulated. 39: 39: subsection: Simulation settings 39: A total of 0 ns were simulated with a time step of 1 fs. 39: Neighbor searching was performed every 10 steps. 39: The Cut-off algorithm was used for electrostatic interactions. 39: with a cut-off of 1 nm. 39: A single cut-off of 1.1 nm was used for Van der Waals interactions. 39: [ OK ] ReportMethodsTest.ToolEndToEndTest (0 ms) 39: [----------] 4 tests from ReportMethodsTest (53 ms total) 39: 39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/0 39: Will write tng: Trajectory file (tng format) 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: trr version: GMX_trn_file (single precision) 39: Reading frame 0 time 0.000 -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/0 (7 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/1 39: Will write tng: Trajectory file (tng format) 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 39: Precision of /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/spc2-traj.tng is 0.001 (nm) 39: -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/1 (187 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/2 39: Will write tng: Trajectory file (tng format) 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/2 (4 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/3 39: Will write tng: Trajectory file (tng format) 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frames from gro file '', 6 atoms. 39: Reading frame 0 time 0.000 39: Precision of /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/spc2-traj.gro is 0.001 (nm) 39: -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/3 (14 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/4 39: Will write tng: Trajectory file (tng format) 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frames from pdb file Reading frame 0 time 0.000 39: Precision of /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/spc2-traj.pdb is 0.0001 (nm) 39: -> frame 0 time 0.000 't= 0.00000', 6 atoms 39: Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/4 (6 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/5 39: Will write tng: Trajectory file (tng format) 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/5 (8 ms) 39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset (227 ms total) 39: 39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/0 39: Will write trr: Trajectory in portable xdr format 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/0 (1 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/1 39: Will write trr: Trajectory in portable xdr format 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 39: Precision of /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/spc2-traj.tng is 0.001 (nm) 39: -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/1 (1 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/2 39: Will write trr: Trajectory in portable xdr format 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/2 (1 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/3 39: Will write trr: Trajectory in portable xdr format 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frames from gro file '', 6 atoms. 39: Reading frame 0 time 0.000 39: Precision of /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/spc2-traj.gro is 0.001 (nm) 39: -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/3 (2 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/4 39: Will write trr: Trajectory in portable xdr format 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frames from pdb file Reading frame 0 time 0.000 39: Precision of /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/spc2-traj.pdb is 0.0001 (nm) 39: -> frame 0 time 0.000 't= 0.00000', 6 atoms 39: Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/4 (1 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/5 39: Will write trr: Trajectory in portable xdr format 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/5 (1 ms) 39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile (7 ms total) 39: 39: [----------] Global test environment tear-down 39: [==========] 18 tests from 4 test cases ran. (2505 ms total) 39: [ PASSED ] 18 tests. 39/54 Test #39: ToolUnitTests ....................... Passed 2.54 sec test 40 Start 40: FileIOTests 40: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/fileio-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/FileIOTests.xml" 40: Test timeout computed to be: 30 40: [==========] Running 33 tests from 8 test cases. 40: [----------] Global test environment set-up. 40: [----------] 2 tests from FileMD5Test 40: [ RUN ] FileMD5Test.CanComputeMD5 40: [ OK ] FileMD5Test.CanComputeMD5 (13 ms) 40: [ RUN ] FileMD5Test.ReturnsErrorIfFileModeIsWrong 40: [ OK ] FileMD5Test.ReturnsErrorIfFileModeIsWrong (0 ms) 40: [----------] 2 tests from FileMD5Test (13 ms total) 40: 40: [----------] 3 tests from MrcSerializer 40: [ RUN ] MrcSerializer.DefaultHeaderValuesAreSet 40: [ OK ] MrcSerializer.DefaultHeaderValuesAreSet (0 ms) 40: [ RUN ] MrcSerializer.DefaultHeaderHasRightSerialSize 40: [ OK ] MrcSerializer.DefaultHeaderHasRightSerialSize (0 ms) 40: [ RUN ] MrcSerializer.DefaultHeaderIdenticalAfterRoundTrip 40: [ OK ] MrcSerializer.DefaultHeaderIdenticalAfterRoundTrip (1 ms) 40: [----------] 3 tests from MrcSerializer (1 ms total) 40: 40: [----------] 4 tests from MrcDensityMap 40: [ RUN ] MrcDensityMap.RoundTripIsIdempotent 40: [ OK ] MrcDensityMap.RoundTripIsIdempotent (1 ms) 40: [ RUN ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent 40: [ OK ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent (0 ms) 40: [ RUN ] MrcDensityMap.ReadsCoordinateTransformationFromFile 40: [ OK ] MrcDensityMap.ReadsCoordinateTransformationFromFile (37 ms) 40: [ RUN ] MrcDensityMap.ReadsDensityDataFromFile 40: [ OK ] MrcDensityMap.ReadsDensityDataFromFile (11 ms) 40: [----------] 4 tests from MrcDensityMap (50 ms total) 40: 40: [----------] 8 tests from MrcDensityMapHeaderTest 40: [ RUN ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader 40: [ OK ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader (0 ms) 40: [ RUN ] MrcDensityMapHeaderTest.DataSizeIsCorrect 40: [ OK ] MrcDensityMapHeaderTest.DataSizeIsCorrect (0 ms) 40: [ RUN ] MrcDensityMapHeaderTest.DataSizeThrowsWhenInvalid 40: [ OK ] MrcDensityMapHeaderTest.DataSizeThrowsWhenInvalid (0 ms) 40: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformNoOriginGiven 40: [ OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformNoOriginGiven (0 ms) 40: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithOriginDefined 40: [ OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithOriginDefined (0 ms) 40: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithStartValues 40: [ OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithStartValues (0 ms) 40: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectExtents 40: [ OK ] MrcDensityMapHeaderTest.GetsCorrectExtents (0 ms) 40: [ RUN ] MrcDensityMapHeaderTest.IsSane 40: [ OK ] MrcDensityMapHeaderTest.IsSane (0 ms) 40: [----------] 8 tests from MrcDensityMapHeaderTest (0 ms total) 40: 40: [----------] 9 tests from ReadTest 40: [ RUN ] ReadTest.get_eint_ReadsInteger 40: [ OK ] ReadTest.get_eint_ReadsInteger (0 ms) 40: [ RUN ] ReadTest.get_eint_WarnsAboutFloat 40: 40: ERROR 1 [file unknown, line 0]: 40: Right hand side '0.8' for parameter 'test' in parameter file is not an 40: integer value 40: 40: 40: [ OK ] ReadTest.get_eint_WarnsAboutFloat (0 ms) 40: [ RUN ] ReadTest.get_eint_WarnsAboutString 40: 40: ERROR 1 [file unknown, line 0]: 40: Right hand side 'hello' for parameter 'test' in parameter file is not an 40: integer value 40: 40: 40: [ OK ] ReadTest.get_eint_WarnsAboutString (0 ms) 40: [ RUN ] ReadTest.get_eint64_ReadsInteger 40: [ OK ] ReadTest.get_eint64_ReadsInteger (0 ms) 40: [ RUN ] ReadTest.get_eint64_WarnsAboutFloat 40: 40: ERROR 1 [file unknown, line 0]: 40: Right hand side '0.8' for parameter 'test' in parameter file is not an 40: integer value 40: 40: 40: [ OK ] ReadTest.get_eint64_WarnsAboutFloat (0 ms) 40: [ RUN ] ReadTest.get_eint64_WarnsAboutString 40: 40: ERROR 1 [file unknown, line 0]: 40: Right hand side 'hello' for parameter 'test' in parameter file is not an 40: integer value 40: 40: 40: [ OK ] ReadTest.get_eint64_WarnsAboutString (0 ms) 40: [ RUN ] ReadTest.get_ereal_ReadsInteger 40: [ OK ] ReadTest.get_ereal_ReadsInteger (0 ms) 40: [ RUN ] ReadTest.get_ereal_ReadsFloat 40: [ OK ] ReadTest.get_ereal_ReadsFloat (0 ms) 40: [ RUN ] ReadTest.get_ereal_WarnsAboutString 40: 40: ERROR 1 [file unknown, line 0]: 40: Right hand side 'hello' for parameter 'test' in parameter file is not a 40: real value 40: 40: 40: [ OK ] ReadTest.get_ereal_WarnsAboutString (0 ms) 40: [----------] 9 tests from ReadTest (0 ms total) 40: 40: [----------] 1 test from FileIOXdrSerializerTest 40: [ RUN ] FileIOXdrSerializerTest.SizeIsCorrect 40: [ OK ] FileIOXdrSerializerTest.SizeIsCorrect (0 ms) 40: [----------] 1 test from FileIOXdrSerializerTest (0 ms total) 40: 40: [----------] 2 tests from TngTest 40: [ RUN ] TngTest.CanOpenTngFile 40: TNG library: Cannot open file spc2-traj.tng. ./src/external/tng_io/src/lib/tng_io.c: 890 40: TNG library: Cannot open file spc2-traj.tng. ./src/external/tng_io/src/lib/tng_io.c: 890 40: [ OK ] TngTest.CanOpenTngFile (0 ms) 40: [ RUN ] TngTest.CloseBeforeOpenIsNotFatal 40: [ OK ] TngTest.CloseBeforeOpenIsNotFatal (0 ms) 40: [----------] 2 tests from TngTest (0 ms total) 40: 40: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest 40: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0 40: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0 (39 ms) 40: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 40: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 (20 ms) 40: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 40: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 (65 ms) 40: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 40: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 (5 ms) 40: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (129 ms total) 40: 40: [----------] Global test environment tear-down 40: [==========] 33 tests from 8 test cases ran. (193 ms total) 40: [ PASSED ] 33 tests. 40/54 Test #40: FileIOTests ......................... Passed 0.21 sec test 41 Start 41: SelectionUnitTests 41: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/selection-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/SelectionUnitTests.xml" 41: Test timeout computed to be: 30 41: [==========] Running 192 tests from 11 test cases. 41: [----------] Global test environment set-up. 41: [----------] 1 test from IndexGroupTest 41: [ RUN ] IndexGroupTest.RemovesDuplicates 41: [ OK ] IndexGroupTest.RemovesDuplicates (0 ms) 41: [----------] 1 test from IndexGroupTest (0 ms total) 41: 41: [----------] 15 tests from IndexBlockTest 41: [ RUN ] IndexBlockTest.CreatesUnknownBlock 41: [ OK ] IndexBlockTest.CreatesUnknownBlock (177 ms) 41: [ RUN ] IndexBlockTest.CreatesAtomBlock 41: [ OK ] IndexBlockTest.CreatesAtomBlock (200 ms) 41: [ RUN ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology 41: [ OK ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology (1 ms) 41: [ RUN ] IndexBlockTest.CreatesResidueBlocksForComplexTopology 41: [ OK ] IndexBlockTest.CreatesResidueBlocksForComplexTopology (0 ms) 41: [ RUN ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology 41: [ OK ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology (199 ms) 41: [ RUN ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology 41: [ OK ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology (0 ms) 41: [ RUN ] IndexBlockTest.CreatesSingleBlock 41: [ OK ] IndexBlockTest.CreatesSingleBlock (0 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForFullBlocksPositive 41: [ OK ] IndexBlockTest.ChecksGroupForFullBlocksPositive (0 ms) 41: [ RUN ] IndexBlockTest.ChecksOutOfOrderGroupForFullBlocksPositive 41: [ OK ] IndexBlockTest.ChecksOutOfOrderGroupForFullBlocksPositive (0 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForFullBlocksNegative 41: [ OK ] IndexBlockTest.ChecksGroupForFullBlocksNegative (0 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForCompleteElementsTrivial 41: [ OK ] IndexBlockTest.ChecksGroupForCompleteElementsTrivial (2 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForCompleteResiduesPositive 41: [ OK ] IndexBlockTest.ChecksGroupForCompleteResiduesPositive (0 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForCompleteResiduesNegative 41: [ OK ] IndexBlockTest.ChecksGroupForCompleteResiduesNegative (0 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForCompleteMoleculesPositive 41: [ OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesPositive (0 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative 41: [ OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative (0 ms) 41: [----------] 15 tests from IndexBlockTest (580 ms total) 41: 41: [----------] 11 tests from IndexMapTest 41: [ RUN ] IndexMapTest.InitializesAtomBlock 41: [ OK ] IndexMapTest.InitializesAtomBlock (5 ms) 41: [ RUN ] IndexMapTest.InitializesOrgIdGroupAtom 41: [ OK ] IndexMapTest.InitializesOrgIdGroupAtom (7 ms) 41: [ RUN ] IndexMapTest.InitializesOrgIdGroupSingle 41: [ OK ] IndexMapTest.InitializesOrgIdGroupSingle (87 ms) 41: [ RUN ] IndexMapTest.InitializesOrgIdGroupResidue 41: [ OK ] IndexMapTest.InitializesOrgIdGroupResidue (9 ms) 41: [ RUN ] IndexMapTest.InitializesOrgIdGroupMolecule 41: [ OK ] IndexMapTest.InitializesOrgIdGroupMolecule (48 ms) 41: [ RUN ] IndexMapTest.InitializesOrgIdGroupAll 41: [ OK ] IndexMapTest.InitializesOrgIdGroupAll (0 ms) 41: [ RUN ] IndexMapTest.InitializesMoleculeBlock 41: [ OK ] IndexMapTest.InitializesMoleculeBlock (1 ms) 41: [ RUN ] IndexMapTest.MapsSingleBlock 41: [ OK ] IndexMapTest.MapsSingleBlock (0 ms) 41: [ RUN ] IndexMapTest.MapsResidueBlocks 41: [ OK ] IndexMapTest.MapsResidueBlocks (0 ms) 41: [ RUN ] IndexMapTest.MapsResidueBlocksWithMask 41: [ OK ] IndexMapTest.MapsResidueBlocksWithMask (341 ms) 41: [ RUN ] IndexMapTest.HandlesMultipleRequests 41: [ OK ] IndexMapTest.HandlesMultipleRequests (804 ms) 41: [----------] 11 tests from IndexMapTest (1302 ms total) 41: 41: [----------] 3 tests from IndexGroupsAndNamesTest 41: [ RUN ] IndexGroupsAndNamesTest.containsNames 41: [ OK ] IndexGroupsAndNamesTest.containsNames (0 ms) 41: [ RUN ] IndexGroupsAndNamesTest.throwsWhenNameMissing 41: [ OK ] IndexGroupsAndNamesTest.throwsWhenNameMissing (0 ms) 41: [ RUN ] IndexGroupsAndNamesTest.groupIndicesCorrect 41: [ OK ] IndexGroupsAndNamesTest.groupIndicesCorrect (0 ms) 41: [----------] 3 tests from IndexGroupsAndNamesTest (0 ms total) 41: 41: [----------] 15 tests from NeighborhoodSearchTest 41: [ RUN ] NeighborhoodSearchTest.SimpleSearch 41: [ OK ] NeighborhoodSearchTest.SimpleSearch (26 ms) 41: [ RUN ] NeighborhoodSearchTest.SimpleSearchXY 41: [ OK ] NeighborhoodSearchTest.SimpleSearchXY (26 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSearchBox 41: [ OK ] NeighborhoodSearchTest.GridSearchBox (4 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSearchTriclinic 41: [ OK ] NeighborhoodSearchTest.GridSearchTriclinic (14 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSearch2DPBC 41: [ OK ] NeighborhoodSearchTest.GridSearch2DPBC (25 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSearchNoPBC 41: [ OK ] NeighborhoodSearchTest.GridSearchNoPBC (3 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSearchXYBox 41: [ OK ] NeighborhoodSearchTest.GridSearchXYBox (4 ms) 41: [ RUN ] NeighborhoodSearchTest.SimpleSelfPairsSearch 41: [ OK ] NeighborhoodSearchTest.SimpleSelfPairsSearch (0 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSelfPairsSearch 41: [ OK ] NeighborhoodSearchTest.GridSelfPairsSearch (64 ms) 41: [ RUN ] NeighborhoodSearchTest.HandlesConcurrentSearches 41: [ OK ] NeighborhoodSearchTest.HandlesConcurrentSearches (0 ms) 41: [ RUN ] NeighborhoodSearchTest.HandlesNoPBC 41: [ OK ] NeighborhoodSearchTest.HandlesNoPBC (0 ms) 41: [ RUN ] NeighborhoodSearchTest.HandlesNullPBC 41: [ OK ] NeighborhoodSearchTest.HandlesNullPBC (0 ms) 41: [ RUN ] NeighborhoodSearchTest.HandlesSkippingPairs 41: [ OK ] NeighborhoodSearchTest.HandlesSkippingPairs (0 ms) 41: [ RUN ] NeighborhoodSearchTest.SimpleSearchExclusions 41: [ OK ] NeighborhoodSearchTest.SimpleSearchExclusions (27 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSearchExclusions 41: [ OK ] NeighborhoodSearchTest.GridSearchExclusions (1 ms) 41: [----------] 15 tests from NeighborhoodSearchTest (195 ms total) 41: 41: [----------] 12 tests from PositionCalculationTest 41: [ RUN ] PositionCalculationTest.ComputesAtomPositions 41: [ OK ] PositionCalculationTest.ComputesAtomPositions (4 ms) 41: [ RUN ] PositionCalculationTest.ComputesResidueCOGPositions 41: [ OK ] PositionCalculationTest.ComputesResidueCOGPositions (6 ms) 41: [ RUN ] PositionCalculationTest.ComputesResidueCOMPositions 41: [ OK ] PositionCalculationTest.ComputesResidueCOMPositions (12 ms) 41: [ RUN ] PositionCalculationTest.ComputesGroupCOGPositions 41: [ OK ] PositionCalculationTest.ComputesGroupCOGPositions (1 ms) 41: [ RUN ] PositionCalculationTest.ComputesGroupCOMPositions 41: [ OK ] PositionCalculationTest.ComputesGroupCOMPositions (11 ms) 41: [ RUN ] PositionCalculationTest.ComputesPositionsWithCompleteWhole 41: [ OK ] PositionCalculationTest.ComputesPositionsWithCompleteWhole (2 ms) 41: [ RUN ] PositionCalculationTest.ComputesPositionsWithCompleteMax 41: [ OK ] PositionCalculationTest.ComputesPositionsWithCompleteMax (3 ms) 41: [ RUN ] PositionCalculationTest.ComputesPositionMask 41: [ OK ] PositionCalculationTest.ComputesPositionMask (9 ms) 41: [ RUN ] PositionCalculationTest.HandlesFramesWithLessAtoms 41: [ OK ] PositionCalculationTest.HandlesFramesWithLessAtoms (9 ms) 41: [ RUN ] PositionCalculationTest.HandlesFramesWithLessAtoms2 41: [ OK ] PositionCalculationTest.HandlesFramesWithLessAtoms2 (8 ms) 41: [ RUN ] PositionCalculationTest.HandlesIdenticalStaticCalculations 41: [ OK ] PositionCalculationTest.HandlesIdenticalStaticCalculations (0 ms) 41: [ RUN ] PositionCalculationTest.HandlesOverlappingStaticCalculations 41: [ OK ] PositionCalculationTest.HandlesOverlappingStaticCalculations (2 ms) 41: [----------] 12 tests from PositionCalculationTest (68 ms total) 41: 41: [----------] 29 tests from SelectionCollectionTest 41: [ RUN ] SelectionCollectionTest.HandlesNoSelections 41: [ OK ] SelectionCollectionTest.HandlesNoSelections (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType 41: [ OK ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType (5 ms) 41: [ RUN ] SelectionCollectionTest.HandlesVelocityAndForceRequests 41: [ OK ] SelectionCollectionTest.HandlesVelocityAndForceRequests (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry 41: [ OK ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry (0 ms) 41: [ RUN ] SelectionCollectionTest.ParsesSelectionsFromFile 41: [ OK ] SelectionCollectionTest.ParsesSelectionsFromFile (11 ms) 41: [ RUN ] SelectionCollectionTest.HandlesAtypicalWhitespace 41: [ OK ] SelectionCollectionTest.HandlesAtypicalWhitespace (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesInvalidRegularExpressions 41: [ OK ] SelectionCollectionTest.HandlesInvalidRegularExpressions (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesMissingMethodParamValue 41: [ OK ] SelectionCollectionTest.HandlesMissingMethodParamValue (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesMissingMethodParamValue2 41: [ OK ] SelectionCollectionTest.HandlesMissingMethodParamValue2 (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesMissingMethodParamValue3 41: [ OK ] SelectionCollectionTest.HandlesMissingMethodParamValue3 (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1 41: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1 (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 41: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 (6 ms) 41: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 41: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2 41: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2 (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesUnsortedGroupReference 41: [ OK ] SelectionCollectionTest.HandlesUnsortedGroupReference (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesUnsortedGroupReferenceDelayed 41: [ OK ] SelectionCollectionTest.HandlesUnsortedGroupReferenceDelayed (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup 41: [ OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed 41: [ OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2 41: [ OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2 (1 ms) 41: [ RUN ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo 41: [ OK ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo (0 ms) 41: [ RUN ] SelectionCollectionTest.RecoversFromMissingAtomTypes 41: [ OK ] SelectionCollectionTest.RecoversFromMissingAtomTypes (1 ms) 41: [ RUN ] SelectionCollectionTest.RecoversFromMissingPDBInfo 41: [ OK ] SelectionCollectionTest.RecoversFromMissingPDBInfo (0 ms) 41: [ RUN ] SelectionCollectionTest.RecoversFromInvalidPermutation 41: [ OK ] SelectionCollectionTest.RecoversFromInvalidPermutation (0 ms) 41: [ RUN ] SelectionCollectionTest.RecoversFromInvalidPermutation2 41: [ OK ] SelectionCollectionTest.RecoversFromInvalidPermutation2 (1 ms) 41: [ RUN ] SelectionCollectionTest.RecoversFromInvalidPermutation3 41: [ OK ] SelectionCollectionTest.RecoversFromInvalidPermutation3 (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets 41: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets2 41: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets2 (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3 41: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3 (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4 41: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4 (0 ms) 41: [----------] 29 tests from SelectionCollectionTest (33 ms total) 41: 41: [----------] 14 tests from SelectionCollectionInteractiveTest 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesBasicInput 41: [ OK ] SelectionCollectionInteractiveTest.HandlesBasicInput (102 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesContinuation 41: [ OK ] SelectionCollectionInteractiveTest.HandlesContinuation (8 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput 41: [ OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput (0 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput 41: [ OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput (1 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups 41: [ OK ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups (1 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections 41: [ OK ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections (1 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus 41: [ OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus (0 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus 41: [ OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus (7 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus 41: [ OK ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus (1 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline 41: [ OK ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline (0 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesEmptySelections 41: [ OK ] SelectionCollectionInteractiveTest.HandlesEmptySelections (1 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine 41: [ OK ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine (6 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput 41: [ OK ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput (1 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively 41: [ OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively (3 ms) 41: [----------] 14 tests from SelectionCollectionInteractiveTest (132 ms total) 41: 41: [----------] 66 tests from SelectionCollectionDataTest 41: [ RUN ] SelectionCollectionDataTest.HandlesAllNone 41: [ OK ] SelectionCollectionDataTest.HandlesAllNone (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesAtomnr 41: [ OK ] SelectionCollectionDataTest.HandlesAtomnr (6 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesResnr 41: [ OK ] SelectionCollectionDataTest.HandlesResnr (6 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesResIndex 41: [ OK ] SelectionCollectionDataTest.HandlesResIndex (4 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesMolIndex 41: [ OK ] SelectionCollectionDataTest.HandlesMolIndex (5 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesAtomname 41: [ OK ] SelectionCollectionDataTest.HandlesAtomname (3 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPdbAtomname 41: [ OK ] SelectionCollectionDataTest.HandlesPdbAtomname (3 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesAtomtype 41: [ OK ] SelectionCollectionDataTest.HandlesAtomtype (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesChain 41: [ OK ] SelectionCollectionDataTest.HandlesChain (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesMass 41: [ OK ] SelectionCollectionDataTest.HandlesMass (6 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesCharge 41: [ OK ] SelectionCollectionDataTest.HandlesCharge (7 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesAltLoc 41: [ OK ] SelectionCollectionDataTest.HandlesAltLoc (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesInsertCode 41: [ OK ] SelectionCollectionDataTest.HandlesInsertCode (4 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesOccupancy 41: [ OK ] SelectionCollectionDataTest.HandlesOccupancy (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesBeta 41: [ OK ] SelectionCollectionDataTest.HandlesBeta (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesResname 41: [ OK ] SelectionCollectionDataTest.HandlesResname (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesCoordinateKeywords 41: [ OK ] SelectionCollectionDataTest.HandlesCoordinateKeywords (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesSameResidue 41: [ OK ] SelectionCollectionDataTest.HandlesSameResidue (10 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesSameResidueName 41: [ OK ] SelectionCollectionDataTest.HandlesSameResidueName (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPositionKeywords 41: [ OK ] SelectionCollectionDataTest.HandlesPositionKeywords (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesDistanceKeyword 41: [ OK ] SelectionCollectionDataTest.HandlesDistanceKeyword (9 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesMinDistanceKeyword 41: [ OK ] SelectionCollectionDataTest.HandlesMinDistanceKeyword (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesWithinKeyword 41: [ OK ] SelectionCollectionDataTest.HandlesWithinKeyword (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword 41: [ OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (8 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPermuteModifier 41: [ OK ] SelectionCollectionDataTest.HandlesPermuteModifier (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPlusModifier 41: [ OK ] SelectionCollectionDataTest.HandlesPlusModifier (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesMergeModifier 41: [ OK ] SelectionCollectionDataTest.HandlesMergeModifier (2 ms) 41: [ RUN ] SelectionCollectionDataTest.ComputesMassesAndCharges 41: [ OK ] SelectionCollectionDataTest.ComputesMassesAndCharges (2 ms) 41: [ RUN ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology 41: [ OK ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology (12 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets 41: [ OK ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets (9 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesSelectionNames 41: [ OK ] SelectionCollectionDataTest.HandlesSelectionNames (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesIndexGroupsInSelections 41: [ OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelections (8 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed 41: [ OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed (10 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections 41: [ OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed 41: [ OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesConstantPositions 41: [ OK ] SelectionCollectionDataTest.HandlesConstantPositions (6 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers 41: [ OK ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesWithinConstantPositions 41: [ OK ] SelectionCollectionDataTest.HandlesWithinConstantPositions (5 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges 41: [ OK ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesOverlappingRealRanges 41: [ OK ] SelectionCollectionDataTest.HandlesOverlappingRealRanges (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode 41: [ OK ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesWildcardMatching 41: [ OK ] SelectionCollectionDataTest.HandlesWildcardMatching (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesRegexMatching 41: [ OK ] SelectionCollectionDataTest.HandlesRegexMatching (12 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesBasicBoolean 41: [ OK ] SelectionCollectionDataTest.HandlesBasicBoolean (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters 41: [ OK ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters (6 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions 41: [ OK ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame 41: [ OK ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords 41: [ OK ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods 41: [ OK ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesKeywordOfPositions 41: [ OK ] SelectionCollectionDataTest.HandlesKeywordOfPositions (17 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic 41: [ OK ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesNumericComparisons 41: [ OK ] SelectionCollectionDataTest.HandlesNumericComparisons (75 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesArithmeticExpressions 41: [ OK ] SelectionCollectionDataTest.HandlesArithmeticExpressions (297 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesNumericVariables 41: [ OK ] SelectionCollectionDataTest.HandlesNumericVariables (11 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesComplexNumericVariables 41: [ OK ] SelectionCollectionDataTest.HandlesComplexNumericVariables (89 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPositionVariables 41: [ OK ] SelectionCollectionDataTest.HandlesPositionVariables (24 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPositionVariableInModifier 41: [ OK ] SelectionCollectionDataTest.HandlesPositionVariableInModifier (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesConstantPositionInVariable 41: [ OK ] SelectionCollectionDataTest.HandlesConstantPositionInVariable (5 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables 41: [ OK ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables (10 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis 41: [ OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables 41: [ OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables (13 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables 41: [ OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables (14 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesUnusedVariables 41: [ OK ] SelectionCollectionDataTest.HandlesUnusedVariables (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups 41: [ OK ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups 41: [ OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups (29 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 41: [ OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 (1 ms) 41: [----------] 66 tests from SelectionCollectionDataTest (770 ms total) 41: 41: [----------] 17 tests from SelectionOptionTest 41: [ RUN ] SelectionOptionTest.ParsesSimpleSelection 41: [ OK ] SelectionOptionTest.ParsesSimpleSelection (1 ms) 41: [ RUN ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired 41: [ OK ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired 41: [ OK ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired (1 ms) 41: [ RUN ] SelectionOptionTest.ChecksForSortedAtomsWhenRequired 41: [ OK ] SelectionOptionTest.ChecksForSortedAtomsWhenRequired (1 ms) 41: [ RUN ] SelectionOptionTest.ChecksEmptySelections 41: [ OK ] SelectionOptionTest.ChecksEmptySelections (0 ms) 41: [ RUN ] SelectionOptionTest.ChecksEmptyDelayedSelections 41: [ OK ] SelectionOptionTest.ChecksEmptyDelayedSelections (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesTooManySelections 41: [ OK ] SelectionOptionTest.HandlesTooManySelections (1 ms) 41: [ RUN ] SelectionOptionTest.HandlesTooFewSelections 41: [ OK ] SelectionOptionTest.HandlesTooFewSelections (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesDefaultSelectionText 41: [ OK ] SelectionOptionTest.HandlesDefaultSelectionText (1 ms) 41: [ RUN ] SelectionOptionTest.HandlesAdjuster 41: [ OK ] SelectionOptionTest.HandlesAdjuster (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesDynamicWhenStaticRequiredWithAdjuster 41: [ OK ] SelectionOptionTest.HandlesDynamicWhenStaticRequiredWithAdjuster (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesTooManySelectionsWithAdjuster 41: [ OK ] SelectionOptionTest.HandlesTooManySelectionsWithAdjuster (1 ms) 41: [ RUN ] SelectionOptionTest.HandlesTooFewSelectionsWithAdjuster 41: [ OK ] SelectionOptionTest.HandlesTooFewSelectionsWithAdjuster (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesDelayedRequiredSelection 41: [ OK ] SelectionOptionTest.HandlesDelayedRequiredSelection (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesTooFewDelayedRequiredSelections 41: [ OK ] SelectionOptionTest.HandlesTooFewDelayedRequiredSelections (1 ms) 41: [ RUN ] SelectionOptionTest.HandlesDelayedOptionalSelection 41: [ OK ] SelectionOptionTest.HandlesDelayedOptionalSelection (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster 41: [ OK ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster (0 ms) 41: [----------] 17 tests from SelectionOptionTest (7 ms total) 41: 41: [----------] 9 tests from SelectionFileOptionTest 41: [ RUN ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile 41: [ OK ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile (1 ms) 41: [ RUN ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions 41: [ OK ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions (0 ms) 41: [ RUN ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile 41: [ OK ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile (1 ms) 41: [ RUN ] SelectionFileOptionTest.HandlesRequiredOptionFromFile 41: [ OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFile (0 ms) 41: [ RUN ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet 41: [ OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet (1 ms) 41: [ RUN ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile 41: [ OK ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile (0 ms) 41: [ RUN ] SelectionFileOptionTest.GivesErrorWithNoFile 41: [ OK ] SelectionFileOptionTest.GivesErrorWithNoFile (1 ms) 41: [ RUN ] SelectionFileOptionTest.GivesErrorWithNonExistentFile 41: [ OK ] SelectionFileOptionTest.GivesErrorWithNonExistentFile (0 ms) 41: [ RUN ] SelectionFileOptionTest.GivesErrorWithMultipleFiles 41: [ OK ] SelectionFileOptionTest.GivesErrorWithMultipleFiles (1 ms) 41: [----------] 9 tests from SelectionFileOptionTest (5 ms total) 41: 41: [----------] Global test environment tear-down 41: [==========] 192 tests from 11 test cases ran. (3093 ms total) 41: [ PASSED ] 192 tests. 41/54 Test #41: SelectionUnitTests .................. Passed 3.16 sec test 42 Start 42: MdrunOutputTests 42: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/mdrun-output-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MdrunOutputTests.xml" 42: Test timeout computed to be: 600 42: [==========] Running 12 tests from 5 test cases. 42: [----------] Global test environment set-up. 42: [----------] 1 test from MdrunTest 42: [ RUN ] MdrunTest.WritesHelp 42: [ OK ] MdrunTest.WritesHelp (9 ms) 42: [----------] 1 test from MdrunTest (9 ms total) 42: 42: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput 42: [ RUN ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 42: Setting the LD random seed to 2145255295 42: Generated 3 of the 3 non-bonded parameter combinations 42: Generating 1-4 interactions: fudge = 0.5 42: Generated 3 of the 3 1-4 parameter combinations 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group rest is 9.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_0_input.mdp]: 42: NVE simulation: will use the initial temperature of 2573.591 K for 42: determining the Verlet buffer size 42: 42: 42: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_0_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There were 2 notes 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 42: Can not increase nstlist because an NVE ensemble is used 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc2' 42: 1 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 2573.59 K 42: Calculated rlist for 1x1 atom pair-list as 1.113 nm, buffer size 0.113 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.104 nm, buffer size 0.104 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.046 0.023 199.0 42: (ns/day) (hour/ns) 42: Performance: 7.532 3.186 42: Reading frame 0 time 0.000 42: # Atoms 6 42: Reading frame 1 time 0.001 Last frame 1 time 0.001 42: 42: 42: Item #frames Timestep (ps) 42: Step 2 0.001 42: Time 2 0.001 42: Lambda 0 42: Coords 2 0.001 42: Velocities 0 42: Forces 0 42: Box 2 0.001 42: Checking file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_0.xtc 42: [ OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 (168 ms) 42: [ RUN ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 42: Setting the LD random seed to 1811872639 42: Generated 3 of the 3 non-bonded parameter combinations 42: Generating 1-4 interactions: fudge = 0.5 42: Generated 3 of the 3 1-4 parameter combinations 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group rest is 9.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_1_input.mdp]: 42: NVE simulation: will use the initial temperature of 2573.591 K for 42: determining the Verlet buffer size 42: 42: 42: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_1_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There were 2 notes 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 42: Can not increase nstlist because an NVE ensemble is used 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc2' 42: 1 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 2573.59 K 42: Calculated rlist for 1x1 atom pair-list as 1.113 nm, buffer size 0.113 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.104 nm, buffer size 0.104 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.008 0.004 194.6 42: (ns/day) (hour/ns) 42: Performance: 44.161 0.543 42: Reading frame 0 time 0.000 42: # Atoms 6 42: Reading frame 1 time 0.001 Last frame 1 time 0.001 42: 42: 42: Item #frames Timestep (ps) 42: Step 2 0.001 42: Time 2 0.001 42: Lambda 0 42: Coords 2 0.001 42: Velocities 0 42: Forces 0 42: Box 2 0.001 42: Checking file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_1.xtc 42: [ OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 (16 ms) 42: [ RUN ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 42: Setting the LD random seed to -117449227 42: Generated 3 of the 3 non-bonded parameter combinations 42: Generating 1-4 interactions: fudge = 0.5 42: Generated 3 of the 3 1-4 parameter combinations 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group rest is 9.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_2_input.mdp]: 42: NVE simulation: will use the initial temperature of 2573.591 K for 42: determining the Verlet buffer size 42: 42: 42: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_2_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There were 2 notes 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 42: Can not increase nstlist because an NVE ensemble is used 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc2' 42: 1 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 2573.59 K 42: Calculated rlist for 1x1 atom pair-list as 1.113 nm, buffer size 0.113 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.104 nm, buffer size 0.104 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.010 0.005 197.0 42: (ns/day) (hour/ns) 42: Performance: 35.395 0.678 42: Reading frame 0 time 0.000 42: # Atoms 3 42: Reading frame 1 time 0.001 Last frame 1 time 0.001 42: 42: 42: Item #frames Timestep (ps) 42: Step 2 0.001 42: Time 2 0.001 42: Lambda 0 42: Coords 2 0.001 42: Velocities 0 42: Forces 0 42: Box 2 0.001 42: Checking file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_2.xtc 42: [ OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 (17 ms) 42: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput (202 ms total) 42: 42: [----------] 2 tests from Argon12/OutputFiles 42: [ RUN ] Argon12/OutputFiles.FilesArePresent/0 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_0_input.mdp]: 42: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 42: that with the Verlet scheme, nstlist has no effect on the accuracy of 42: your simulation. 42: 42: 42: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_0_input.mdp]: 42: Setting nstcalcenergy (100) equal to nstenergy (4) 42: 42: Generated 1 of the 1 non-bonded parameter combinations 42: Excluding 1 bonded neighbours molecule type 'Argon' 42: Number of degrees of freedom in T-Coupling group System is 33.00 42: 42: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_0_input.mdp]: 42: NVE simulation: will use the initial temperature of 68.810 K for 42: determining the Verlet buffer size 42: 42: 42: There were 3 notes 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 42: Can not increase nstlist because an NVE ensemble is used 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'Argon' 42: 16 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 42: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 42: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.999 0.500 200.0 42: (ns/day) (hour/ns) 42: Performance: 2.939 8.165 42: [ OK ] Argon12/OutputFiles.FilesArePresent/0 (547 ms) 42: [ RUN ] Argon12/OutputFiles.FilesArePresent/1 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_1_input.mdp]: 42: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 42: that with the Verlet scheme, nstlist has no effect on the accuracy of 42: your simulation. 42: 42: 42: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_1_input.mdp]: 42: Setting nstcalcenergy (100) equal to nstenergy (4) 42: 42: Generated 1 of the 1 non-bonded parameter combinations 42: Excluding 1 bonded neighbours molecule type 'Argon' 42: Number of degrees of freedom in T-Coupling group System is 33.00 42: 42: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_1_input.mdp]: 42: NVE simulation: will use the initial temperature of 68.810 K for 42: determining the Verlet buffer size 42: 42: 42: There were 3 notes 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 42: Can not increase nstlist because an NVE ensemble is used 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'Argon' 42: 16 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 42: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 42: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.006 0.003 197.6 42: (ns/day) (hour/ns) 42: Performance: 448.500 0.054 42: [ OK ] Argon12/OutputFiles.FilesArePresent/1 (10 ms) 42: [----------] 2 tests from Argon12/OutputFiles (557 ms total) 42: 42: [----------] 3 tests from MdrunCanWrite/Trajectories 42: [ RUN ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 42: Setting the LD random seed to -1254656329 42: Generated 8 of the 10 non-bonded parameter combinations 42: Excluding 2 bonded neighbours molecule type 'Methanol' 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group System is 12.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_Trajectories_ThatDifferInNstxout_0_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There was 1 note 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_Trajectories_ThatDifferInNstxout_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 42: Changing nstlist from 10 to 80, rlist from 1.022 to 1.293 42: 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc-and-methanol' 42: 6 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 42: Calculated rlist for 1x1 atom pair-list as 1.025 nm, buffer size 0.025 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.022 nm, buffer size 0.022 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.018 0.009 196.9 42: (ns/day) (hour/ns) 42: Performance: 67.100 0.358 42: [ OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 (22 ms) 42: [ RUN ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1 42: Setting the LD random seed to 1566572523 42: Generated 8 of the 10 non-bonded parameter combinations 42: Excluding 2 bonded neighbours molecule type 'Methanol' 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group System is 12.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_Trajectories_ThatDifferInNstxout_1_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There was 1 note 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_Trajectories_ThatDifferInNstxout_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 42: Changing nstlist from 10 to 80, rlist from 1.022 to 1.293 42: 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc-and-methanol' 42: 6 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 42: Calculated rlist for 1x1 atom pair-list as 1.025 nm, buffer size 0.025 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.022 nm, buffer size 0.022 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.018 0.009 196.8 42: (ns/day) (hour/ns) 42: Performance: 66.292 0.362 42: [ OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1 (26 ms) 42: [ RUN ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2 42: Setting the LD random seed to -277905452 42: Generated 8 of the 10 non-bonded parameter combinations 42: Excluding 2 bonded neighbours molecule type 'Methanol' 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group System is 12.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_Trajectories_ThatDifferInNstxout_2_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There was 1 note 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_Trajectories_ThatDifferInNstxout_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 42: Changing nstlist from 10 to 80, rlist from 1.022 to 1.293 42: 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc-and-methanol' 42: 6 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 42: Calculated rlist for 1x1 atom pair-list as 1.025 nm, buffer size 0.025 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.022 nm, buffer size 0.022 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.391 0.196 199.9 42: (ns/day) (hour/ns) 42: Performance: 3.092 7.762 42: [ OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2 (242 ms) 42: [----------] 3 tests from MdrunCanWrite/Trajectories (290 ms total) 42: 42: [----------] 3 tests from MdrunCanWrite/NptTrajectories 42: [ RUN ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0 42: Setting the LD random seed to -85987433 42: Generated 8 of the 10 non-bonded parameter combinations 42: Excluding 2 bonded neighbours molecule type 'Methanol' 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group System is 12.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_NptTrajectories_WithDifferentPcoupl_0_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There was 1 note 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_NptTrajectories_WithDifferentPcoupl_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 42: Changing nstlist from 10 to 80, rlist from 1.022 to 1.293 42: 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc-and-methanol' 42: 2 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 42: Calculated rlist for 1x1 atom pair-list as 1.025 nm, buffer size 0.025 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.022 nm, buffer size 0.022 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.192 0.096 199.9 42: (ns/day) (hour/ns) 42: Performance: 2.699 8.893 42: [ OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0 (103 ms) 42: [ RUN ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1 42: Setting the LD random seed to -176162307 42: Generated 8 of the 10 non-bonded parameter combinations 42: Excluding 2 bonded neighbours molecule type 'Methanol' 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group System is 12.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_NptTrajectories_WithDifferentPcoupl_1_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There was 1 note 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_NptTrajectories_WithDifferentPcoupl_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 42: Changing nstlist from 10 to 80, rlist from 1.022 to 1.293 42: 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc-and-methanol' 42: 2 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 42: Calculated rlist for 1x1 atom pair-list as 1.025 nm, buffer size 0.025 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.022 nm, buffer size 0.022 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.007 0.004 195.5 42: (ns/day) (hour/ns) 42: Performance: 68.500 0.350 42: [ OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1 (11 ms) 42: [ RUN ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2 42: Setting the LD random seed to -143284225 42: Generated 8 of the 10 non-bonded parameter combinations 42: Excluding 2 bonded neighbours molecule type 'Methanol' 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group System is 12.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_NptTrajectories_WithDifferentPcoupl_2_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There was 1 note 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_NptTrajectories_WithDifferentPcoupl_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 42: Changing nstlist from 10 to 80, rlist from 1.022 to 1.293 42: 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc-and-methanol' 42: 2 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 42: Calculated rlist for 1x1 atom pair-list as 1.025 nm, buffer size 0.025 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.022 nm, buffer size 0.022 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.009 0.004 196.8 42: (ns/day) (hour/ns) 42: Performance: 59.816 0.401 42: [ OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2 (12 ms) 42: [----------] 3 tests from MdrunCanWrite/NptTrajectories (126 ms total) 42: 42: [----------] Global test environment tear-down 42: [==========] 12 tests from 5 test cases ran. (1184 ms total) 42: [ PASSED ] 12 tests. 42/54 Test #42: MdrunOutputTests .................... Passed 1.23 sec test 43 Start 43: MdrunModulesTests 43: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/mdrun-modules-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MdrunModulesTests.xml" 43: Test timeout computed to be: 600 43: [==========] Running 10 tests from 3 test cases. 43: [----------] Global test environment set-up. 43: [----------] 4 tests from DensityFittingTest 43: [ RUN ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct 43: Setting the LD random seed to -1644716049 43: Generated 1 of the 1 non-bonded parameter combinations 43: Excluding 1 bonded neighbours molecule type 'Argon' 43: Number of degrees of freedom in T-Coupling group rest is 33.00 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProduct.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: 43: Steepest Descents: 43: Tolerance (Fmax) = 1.00000e+01 43: Number of steps = 2 43: 43: Energy minimization reached the maximum number of steps before the forces 43: reached the requested precision Fmax < 10. 43: 43: writing lowest energy coordinates. 43: 43: Steepest Descents did not converge to Fmax < 10 in 3 steps. 43: Potential Energy = -3.8565400e+03 43: Maximum force = 2.8846870e+03 on atom 3 43: Norm of force = 1.0754448e+03 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProduct.edr as single precision energy file 43: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Last energy frame read 2 time 2.000 This run will generate roughly 0 Mb of data 43: [ OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct (104 ms) 43: [ RUN ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy 43: Setting the LD random seed to 2077687741 43: Generated 1 of the 1 non-bonded parameter combinations 43: Excluding 1 bonded neighbours molecule type 'Argon' 43: Number of degrees of freedom in T-Coupling group rest is 33.00 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectForRelativeEntropy.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: 43: Steepest Descents: 43: Tolerance (Fmax) = 1.00000e+01 43: Number of steps = 2 43: 43: Energy minimization reached the maximum number of steps before the forces 43: reached the requested precision Fmax < 10. 43: 43: writing lowest energy coordinates. 43: 43: Steepest Descents did not converge to Fmax < 10 in 3 steps. 43: Potential Energy = -2.7138666e+04 43: Maximum force = 4.3409717e+03 on atom 2 43: Norm of force = 1.2549793e+03 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectForRelativeEntropy.edr as single precision energy file 43: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Last energy frame read 2 time 2.000 This run will generate roughly 0 Mb of data 43: [ OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy (13 ms) 43: [ RUN ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch 43: 43: [WARNING] ./src/external/googletest/googletest/src/gtest-death-test.cc:836:: Death tests use fork(), which is unsafe particularly in a threaded context. For this test, Google Test detected 2 threads. 43: [ OK ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch (8 ms) 43: [ RUN ] DensityFittingTest.CheckpointWorks 43: 43: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks_input.mdp]: 43: Setting nstcalcenergy (100) equal to nstenergy (2) 43: 43: Setting the LD random seed to -26558809 43: Generated 1 of the 1 non-bonded parameter combinations 43: Excluding 1 bonded neighbours molecule type 'Argon' 43: Number of degrees of freedom in T-Coupling group rest is 33.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks_input.mdp]: 43: NVE simulation: will use the initial temperature of 68.810 K for 43: determining the Verlet buffer size 43: 43: 43: There were 2 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 43: Can not increase nstlist because an NVE ensemble is used 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: starting mdrun 'Argon' 43: 2 steps, 0.0 ps. 43: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 68.8096 K 43: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 43: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 43: Note that mdrun will redetermine rlist based on the actual pair-list setup 43: This run will generate roughly 0 Mb of data 43: 43: Writing final coordinates. 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.014 0.007 197.6 43: (ns/day) (hour/ns) 43: Performance: 37.841 0.634 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 43: 43: Overriding nsteps with value passed on the command line: 4 steps, 0.004 ps 43: Can not increase nstlist because an NVE ensemble is used 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: starting mdrun 'Argon' 43: 6 steps, 0.0 ps (continuing from step 2, 0.0 ps). 43: 43: Writing final coordinates. 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.006 0.003 195.0 43: (ns/day) (hour/ns) 43: Performance: 152.008 0.158 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.edr as single precision energy file 43: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.002 Last energy frame read 1 time 0.002 [ OK ] DensityFittingTest.CheckpointWorks (27 ms) 43: [----------] 4 tests from DensityFittingTest (152 ms total) 43: 43: [----------] 4 tests from MimicTest 43: [ RUN ] MimicTest.OneQuantumMol 43: 43: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol_input.mdp]: 43: For a correct single-point energy evaluation with nsteps = 0, use 43: continuation = yes to avoid constraining the input coordinates. 43: 43: Setting the LD random seed to -941775929 43: Generated 10 of the 10 non-bonded parameter combinations 43: Generating 1-4 interactions: fudge = 0.5 43: Generated 10 of the 10 1-4 parameter combinations 43: Excluding 2 bonded neighbours molecule type 'SOL' 43: Number of degrees of freedom in T-Coupling group rest is 21.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol_input.mdp]: 43: NVE simulation with an initial temperature of zero: will use a Verlet 43: buffer of 10%. Check your energy drift! 43: 43: 43: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol_input.mdp]: 43: You are using a plain Coulomb cut-off, which might produce artifacts. 43: You might want to consider using PME electrostatics. 43: 43: 43: 43: There were 3 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 43: Can not increase nstlist because an NVE ensemble is used 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: starting md rerun 'Generated by gmx solvate', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/4water.gro' 43: 43: Reading frames from gro file 'Generated by gmx solvate', 12 atoms. 43: Reading frame 0 time 0.000 Last frame 0 time 0.000 43: 43: NOTE: 16 % of the run time was spent in pair search, 43: you might want to increase nstlist (this has no effect on accuracy) 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.001 0.000 188.5 43: (ns/day) (hour/ns) 43: Performance: 210.936 0.114 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as single precision energy file 43: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 43: [ OK ] MimicTest.OneQuantumMol (24 ms) 43: [ RUN ] MimicTest.AllQuantumMol 43: 43: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]: 43: For a correct single-point energy evaluation with nsteps = 0, use 43: continuation = yes to avoid constraining the input coordinates. 43: 43: Setting the LD random seed to -1082949766 43: Generated 10 of the 10 non-bonded parameter combinations 43: Generating 1-4 interactions: fudge = 0.5 43: Generated 10 of the 10 1-4 parameter combinations 43: Excluding 2 bonded neighbours molecule type 'SOL' 43: Number of degrees of freedom in T-Coupling group rest is 21.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]: 43: NVE simulation with an initial temperature of zero: will use a Verlet 43: buffer of 10%. Check your energy drift! 43: 43: 43: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]: 43: You are using a plain Coulomb cut-off, which might produce artifacts. 43: You might want to consider using PME electrostatics. 43: 43: 43: 43: There were 3 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 43: Can not increase nstlist because an NVE ensemble is used 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: starting md rerun 'Generated by gmx solvate', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/4water.gro' 43: 43: Reading frames from gro file 'Generated by gmx solvate', 12 atoms. 43: Reading frame 0 time 0.000 Last frame 0 time 0.000 43: 43: NOTE: 16 % of the run time was spent in pair search, 43: you might want to increase nstlist (this has no effect on accuracy) 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.001 0.000 188.8 43: (ns/day) (hour/ns) 43: Performance: 222.734 0.108 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as single precision energy file 43: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 43: [ OK ] MimicTest.AllQuantumMol (13 ms) 43: [ RUN ] MimicTest.TwoQuantumMol 43: 43: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]: 43: For a correct single-point energy evaluation with nsteps = 0, use 43: continuation = yes to avoid constraining the input coordinates. 43: 43: Setting the LD random seed to -564138818 43: Generated 10 of the 10 non-bonded parameter combinations 43: Generating 1-4 interactions: fudge = 0.5 43: Generated 10 of the 10 1-4 parameter combinations 43: Excluding 2 bonded neighbours molecule type 'SOL' 43: Number of degrees of freedom in T-Coupling group rest is 21.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]: 43: NVE simulation with an initial temperature of zero: will use a Verlet 43: buffer of 10%. Check your energy drift! 43: 43: 43: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]: 43: You are using a plain Coulomb cut-off, which might produce artifacts. 43: You might want to consider using PME electrostatics. 43: 43: 43: 43: There were 3 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 43: Can not increase nstlist because an NVE ensemble is used 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: starting md rerun 'Generated by gmx solvate', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/4water.gro' 43: 43: Reading frames from gro file 'Generated by gmx solvate', 12 atoms. 43: Reading frame 0 time 0.000 Last frame 0 time 0.000 43: 43: NOTE: 16 % of the run time was spent in pair search, 43: you might want to increase nstlist (this has no effect on accuracy) 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.001 0.000 187.8 43: (ns/day) (hour/ns) 43: Performance: 235.012 0.102 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as single precision energy file 43: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 43: [ OK ] MimicTest.TwoQuantumMol (17 ms) 43: [ RUN ] MimicTest.BondCuts 43: 43: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]: 43: For a correct single-point energy evaluation with nsteps = 0, use 43: continuation = yes to avoid constraining the input coordinates. 43: 43: Setting the LD random seed to -305725745 43: Generated 2211 of the 2211 non-bonded parameter combinations 43: Generating 1-4 interactions: fudge = 0.5 43: Generated 2211 of the 2211 1-4 parameter combinations 43: Excluding 3 bonded neighbours molecule type 'Protein_chain_A' 43: Number of degrees of freedom in T-Coupling group rest is 66.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]: 43: NVE simulation: will use the initial temperature of 300.368 K for 43: determining the Verlet buffer size 43: 43: 43: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]: 43: You are using a plain Coulomb cut-off, which might produce artifacts. 43: You might want to consider using PME electrostatics. 43: 43: 43: 43: There were 3 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 43: Can not increase nstlist because an NVE ensemble is used 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: starting md rerun 'UNNAMED in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/ala.gro' 43: 43: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms. 43: Reading frame 0 time 0.000 Last frame 0 time 0.000 43: 43: NOTE: 15 % of the run time was spent in pair search, 43: you might want to increase nstlist (this has no effect on accuracy) 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.001 0.001 191.4 43: (ns/day) (hour/ns) 43: Performance: 114.318 0.210 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as single precision energy file 43: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300.368 K 43: Calculated rlist for 1x1 atom pair-list as 1.034 nm, buffer size 0.034 nm 43: Set rlist, assuming 4x4 atom pair-list, to 1.025 nm, buffer size 0.025 nm 43: Note that mdrun will redetermine rlist based on the actual pair-list setup 43: This run will generate roughly 0 Mb of data 43: [ OK ] MimicTest.BondCuts (75 ms) 43: [----------] 4 tests from MimicTest (129 ms total) 43: 43: [----------] 2 tests from WithIntegrator/ImdTest 43: [ RUN ] WithIntegrator/ImdTest.ImdCanRun/0 43: Setting the LD random seed to -34111749 43: Generated 20503 of the 20503 non-bonded parameter combinations 43: Generating 1-4 interactions: fudge = 1 43: Generated 17396 of the 20503 1-4 parameter combinations 43: Excluding 3 bonded neighbours molecule type 'Glycine' 43: 43: NOTE 1 [file glycine_vacuo.top, line 12]: 43: The bond in molecule-type Glycine between atoms 1 N and 2 H1 has an 43: estimated oscillational period of 1.0e-02 ps, which is less than 10 times 43: the time step of 2.0e-03 ps. 43: Maybe you forgot to change the constraints mdp option. 43: 43: Group 'Heavy_Atoms' with 5 atoms can be activated for interactive molecular dynamics (IMD). 43: Number of degrees of freedom in T-Coupling group System is 27.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_0_input.mdp]: 43: You are using a plain Coulomb cut-off, which might produce artifacts. 43: You might want to consider using PME electrostatics. 43: 43: 43: 43: There were 2 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 43: Changing nstlist from 10 to 50, rlist from 1.026 to 1.34 43: 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: IMD: Enabled. This simulation will accept incoming IMD connections. 43: IMD: Pulling from IMD remote is enabled (-imdpull). 43: IMD: Setting port for connection requests to 0. 43: IMD: Setting up incoming socket. 43: IMD: Listening for IMD connection on port 58343. 43: IMD: -imdwait not set, starting simulation. 43: starting mdrun 'Glycine' 43: 2 steps, 0.0 ps. 43: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K 43: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 43: Set rlist, assuming 4x4 atom pair-list, to 1.026 nm, buffer size 0.026 nm 43: Note that mdrun will redetermine rlist based on the actual pair-list setup 43: This run will generate roughly 0 Mb of data 43: 43: Writing final coordinates. 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.888 0.444 199.9 43: (ns/day) (hour/ns) 43: Performance: 1.168 20.557 43: [ OK ] WithIntegrator/ImdTest.ImdCanRun/0 (1029 ms) 43: [ RUN ] WithIntegrator/ImdTest.ImdCanRun/1 43: 43: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_1_input.mdp]: 43: Setting tcoupl from 'V-rescale' to 'no'. Temperature coupling does not 43: apply to steep. 43: 43: Setting the LD random seed to -294677266 43: Generated 20503 of the 20503 non-bonded parameter combinations 43: Generating 1-4 interactions: fudge = 1 43: Generated 17396 of the 20503 1-4 parameter combinations 43: Excluding 3 bonded neighbours molecule type 'Glycine' 43: Group 'Heavy_Atoms' with 5 atoms can be activated for interactive molecular dynamics (IMD). 43: Number of degrees of freedom in T-Coupling group System is 27.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_1_input.mdp]: 43: You are using a plain Coulomb cut-off, which might produce artifacts. 43: You might want to consider using PME electrostatics. 43: 43: 43: 43: There were 2 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: IMD: Enabled. This simulation will accept incoming IMD connections. 43: IMD: Pulling from IMD remote is enabled (-imdpull). 43: IMD: Setting port for connection requests to 0. 43: IMD: Setting up incoming socket. 43: IMD: Listening for IMD connection on port 45121. 43: IMD: -imdwait not set, starting simulation. 43: 43: Steepest Descents: 43: Tolerance (Fmax) = 1.00000e+01 43: Number of steps = 2 43: 43: Energy minimization reached the maximum number of steps before the forces 43: reached the requested precision Fmax < 10. 43: 43: writing lowest energy coordinates. 43: 43: Steepest Descents did not converge to Fmax < 10 in 3 steps. 43: Potential Energy = 1.1977063e+03 43: Maximum force = 1.7794877e+04 on atom 9 43: Norm of force = 7.8732901e+03 43: This run will generate roughly 0 Mb of data 43: [ OK ] WithIntegrator/ImdTest.ImdCanRun/1 (142 ms) 43: [----------] 2 tests from WithIntegrator/ImdTest (1171 ms total) 43: 43: [----------] Global test environment tear-down 43: [==========] 10 tests from 3 test cases ran. (1453 ms total) 43: [ PASSED ] 10 tests. 43/54 Test #43: MdrunModulesTests ................... Passed 1.55 sec test 44 Start 44: MdrunIOTests 44: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/mdrun-io-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MdrunIOTests.xml" 44: Test timeout computed to be: 600 44: [==========] Running 51 tests from 9 test cases. 44: [----------] Global test environment set-up. 44: [----------] 3 tests from GromppTest 44: [ RUN ] GromppTest.EmptyMdpFileWorks 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_EmptyMdpFileWorks_input.mdp]: 44: For a correct single-point energy evaluation with nsteps = 0, use 44: continuation = yes to avoid constraining the input coordinates. 44: 44: Setting the LD random seed to -540066905 44: Generated 8 of the 10 non-bonded parameter combinations 44: Excluding 2 bonded neighbours molecule type 'Methanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group rest is 12.00 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_EmptyMdpFileWorks_input.mdp]: 44: NVE simulation: will use the initial temperature of 1046.791 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_EmptyMdpFileWorks_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 44: Calculated rlist for 1x1 atom pair-list as 1.061 nm, buffer size 0.061 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.056 nm, buffer size 0.056 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: [ OK ] GromppTest.EmptyMdpFileWorks (4 ms) 44: [ RUN ] GromppTest.SimulatedAnnealingWorks 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorks_input.mdp]: 44: For a correct single-point energy evaluation with nsteps = 0, use 44: continuation = yes to avoid constraining the input coordinates. 44: 44: Setting the LD random seed to 2011103231 44: Generated 8 of the 10 non-bonded parameter combinations 44: Excluding 2 bonded neighbours molecule type 'Methanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Simulated annealing for group rest: Periodic, 4 timepoints 44: Time (ps) Temperature (K) 44: 0.0 298.0 44: 2.0 320.0 44: 4.0 320.0 44: 6.0 298.0 44: Number of degrees of freedom in T-Coupling group rest is 12.00 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorks_input.mdp]: 44: NVE simulation: will use the initial temperature of 1046.791 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorks_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 44: Calculated rlist for 1x1 atom pair-list as 1.061 nm, buffer size 0.061 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.056 nm, buffer size 0.056 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: [ OK ] GromppTest.SimulatedAnnealingWorks (77 ms) 44: [ RUN ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorksWithMultipleGroups_input.mdp]: 44: For a correct single-point energy evaluation with nsteps = 0, use 44: continuation = yes to avoid constraining the input coordinates. 44: 44: Setting the LD random seed to 2063465975 44: Generated 8 of the 10 non-bonded parameter combinations 44: Excluding 2 bonded neighbours molecule type 'Methanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Simulated annealing for group Methanol: Single, 3 timepoints 44: Time (ps) Temperature (K) 44: 0.0 298.0 44: 3.0 280.0 44: 6.0- 270.0 44: Simulated annealing for group SOL: Periodic, 4 timepoints 44: Time (ps) Temperature (K) 44: 0.0 298.0 44: 2.0 320.0 44: 4.0 320.0 44: 6.0 298.0 44: Number of degrees of freedom in T-Coupling group Methanol is 7.20 44: Number of degrees of freedom in T-Coupling group SOL is 4.80 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorksWithMultipleGroups_input.mdp]: 44: NVE simulation: will use the initial temperature of 1046.791 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorksWithMultipleGroups_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 44: Calculated rlist for 1x1 atom pair-list as 1.061 nm, buffer size 0.061 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.056 nm, buffer size 0.056 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: [ OK ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups (5 ms) 44: [----------] 3 tests from GromppTest (86 ms total) 44: 44: [----------] 6 tests from MdrunTerminationTest 44: [ RUN ] MdrunTerminationTest.CheckpointRestartAppendsByDefault 44: Setting the LD random seed to -44304997 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There was 1 note 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 2 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.014 0.007 198.1 44: (ns/day) (hour/ns) 44: Performance: 37.681 0.637 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Setting nsteps to 4 44: Writing statusfile with starting step 0 and length 4 steps... 44: time 0.000 and length 0.004 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 4 steps, 0.0 ps (continuing from step 2, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.003 0.002 190.6 44: (ns/day) (hour/ns) 44: Performance: 150.535 0.159 44: [ OK ] MdrunTerminationTest.CheckpointRestartAppendsByDefault (86 ms) 44: [ RUN ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts 44: Setting the LD random seed to 2003288031 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There was 1 note 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 1, rlist from 1.024 to 1 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 100 steps, 0.1 ps. 44: 44: Step 2: Run time exceeded 0.000 hours, will terminate the run within 2 steps 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 193.3 44: (ns/day) (hour/ns) 44: Performance: 106.553 0.225 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Setting nsteps to 102 44: Writing statusfile with starting step 0 and length 102 steps... 44: time 0.000 and length 0.102 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 102 steps, 0.1 ps (continuing from step 3, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.012 0.006 196.5 44: (ns/day) (hour/ns) 44: Performance: 1457.129 0.016 44: [ OK ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (27 ms) 44: [ RUN ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend 44: Setting the LD random seed to 1606265621 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There was 1 note 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 2 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 192.9 44: (ns/day) (hour/ns) 44: Performance: 95.407 0.252 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Setting nsteps to 4 44: Writing statusfile with starting step 0 and length 4 steps... 44: time 0.000 and length 0.004 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 4 steps, 0.0 ps (continuing from step 2, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.111 0.056 199.8 44: (ns/day) (hour/ns) 44: Performance: 4.650 5.161 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Setting nsteps to 6 44: Writing statusfile with starting step 0 and length 6 steps... 44: time 0.000 and length 0.006 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 6 steps, 0.0 ps (continuing from step 4, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.222 0.111 199.9 44: (ns/day) (hour/ns) 44: Performance: 2.330 10.301 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Setting nsteps to 8 44: Writing statusfile with starting step 0 and length 8 steps... 44: time 0.000 and length 0.008 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 8 steps, 0.0 ps (continuing from step 6, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.019 0.010 199.2 44: (ns/day) (hour/ns) 44: Performance: 26.513 0.905 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 8 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: NOTE: 25 % of the run time was spent in pair search, 44: you might want to increase nstlist (this has no effect on accuracy) 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.000 0.000 179.5 44: (ns/day) (hour/ns) 44: Performance: 441.398 0.054 44: [ OK ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend (204 ms) 44: [ RUN ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile 44: Setting the LD random seed to -1243624437 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There was 1 note 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 2 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 195.3 44: (ns/day) (hour/ns) 44: Performance: 95.090 0.252 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Setting nsteps to 4 44: Writing statusfile with starting step 0 and length 4 steps... 44: time 0.000 and length 0.004 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 4 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.002 194.4 44: (ns/day) (hour/ns) 44: Performance: 182.803 0.131 44: [ OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile (17 ms) 44: [ RUN ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile 44: Setting the LD random seed to -310542370 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There was 1 note 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 2 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 194.7 44: (ns/day) (hour/ns) 44: Performance: 94.940 0.253 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Setting nsteps to 4 44: Writing statusfile with starting step 0 and length 4 steps... 44: time 0.000 and length 0.004 ps 44: [ OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile (11 ms) 44: [ RUN ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles 44: Setting the LD random seed to -614735883 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There was 1 note 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 2 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 196.3 44: (ns/day) (hour/ns) 44: Performance: 98.430 0.244 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Setting nsteps to 4 44: Writing statusfile with starting step 0 and length 4 steps... 44: time 0.000 and length 0.004 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 10 to 80, rlist from 1.024 to 1.244 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 4 steps, 0.0 ps (continuing from step 2, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.010 0.005 198.6 44: (ns/day) (hour/ns) 44: Performance: 50.993 0.471 44: [ OK ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles (55 ms) 44: [----------] 6 tests from MdrunTerminationTest (400 ms total) 44: 44: [----------] 12 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 1.975 0.987 200.0 44: (ns/day) (hour/ns) 44: Performance: 1.487 16.135 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.014 0.007 198.1 44: (ns/day) (hour/ns) 44: Performance: 112.788 0.213 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 196.3 44: (ns/day) (hour/ns) 44: Performance: 185.291 0.130 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (1014 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.011 0.006 198.1 44: (ns/day) (hour/ns) 44: Performance: 256.766 0.093 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.013 0.007 198.2 44: (ns/day) (hour/ns) 44: Performance: 117.578 0.204 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.091 0.046 199.7 44: (ns/day) (hour/ns) 44: Performance: 17.015 1.411 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (83 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.708 nm, buffer size 0.008 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.708 nm, buffer size 0.008 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.708 nm, buffer size 0.008 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.708 nm, buffer size 0.008 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 1.001 0.500 200.0 44: (ns/day) (hour/ns) 44: Performance: 2.935 8.177 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.023 0.011 198.5 44: (ns/day) (hour/ns) 44: Performance: 68.560 0.350 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.019 0.010 197.6 44: (ns/day) (hour/ns) 44: Performance: 79.833 0.301 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (550 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.009 0.005 195.4 44: (ns/day) (hour/ns) 44: Performance: 312.340 0.077 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.192 0.096 199.8 44: (ns/day) (hour/ns) 44: Performance: 8.107 2.961 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 196.0 44: (ns/day) (hour/ns) 44: Performance: 198.774 0.121 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (171 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: NVE simulation: will use the initial temperature of 2573.591 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: NVE simulation: will use the initial temperature of 2573.591 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 2573.59 K 44: Calculated rlist for 1x1 atom pair-list as 0.880 nm, buffer size 0.180 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.880 nm, buffer size 0.180 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 2573.59 K 44: Calculated rlist for 1x1 atom pair-list as 0.880 nm, buffer size 0.180 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.880 nm, buffer size 0.180 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.026 0.013 198.9 44: (ns/day) (hour/ns) 44: Performance: 112.149 0.214 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 194.1 44: (ns/day) (hour/ns) 44: Performance: 265.205 0.090 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.003 196.3 44: (ns/day) (hour/ns) 44: Performance: 223.267 0.107 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (39 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: NVE simulation: will use the initial temperature of 2573.591 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: NVE simulation: will use the initial temperature of 2573.591 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 2573.59 K 44: Calculated rlist for 1x1 atom pair-list as 0.880 nm, buffer size 0.180 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.880 nm, buffer size 0.180 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 2573.59 K 44: Calculated rlist for 1x1 atom pair-list as 0.880 nm, buffer size 0.180 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.880 nm, buffer size 0.180 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.009 0.004 198.1 44: (ns/day) (hour/ns) 44: Performance: 335.965 0.071 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.849 0.425 200.0 44: (ns/day) (hour/ns) 44: Performance: 1.831 13.110 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.003 197.4 44: (ns/day) (hour/ns) 44: Performance: 223.344 0.107 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (448 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.731 to 0.816 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.731 nm, buffer size 0.031 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.731 nm, buffer size 0.031 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.731 nm, buffer size 0.031 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.731 nm, buffer size 0.031 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 196.0 44: (ns/day) (hour/ns) 44: Performance: 414.130 0.058 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.731 to 0.816 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 194.6 44: (ns/day) (hour/ns) 44: Performance: 269.078 0.089 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.731 to 0.816 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 195.5 44: (ns/day) (hour/ns) 44: Performance: 283.165 0.085 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (24 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 40, rlist from 0.754 to 1.017 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.754 nm, buffer size 0.054 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.754 nm, buffer size 0.054 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.754 nm, buffer size 0.054 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.754 nm, buffer size 0.054 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 196.0 44: (ns/day) (hour/ns) 44: Performance: 477.417 0.050 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 40, rlist from 0.754 to 1.017 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 194.9 44: (ns/day) (hour/ns) 44: Performance: 215.693 0.111 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 40, rlist from 0.754 to 1.017 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.018 0.009 197.3 44: (ns/day) (hour/ns) 44: Performance: 86.221 0.278 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (76 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: NVE simulation: will use the initial temperature of 456.887 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 6 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 6 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: NVE simulation: will use the initial temperature of 456.887 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 6 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 6 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps. 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 456.887 K 44: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 456.887 K 44: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.015 0.008 197.2 44: (ns/day) (hour/ns) 44: Performance: 188.802 0.127 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.021 0.011 196.5 44: (ns/day) (hour/ns) 44: Performance: 73.078 0.328 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.012 0.006 195.7 44: (ns/day) (hour/ns) 44: Performance: 130.595 0.184 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (107 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: NVE simulation: will use the initial temperature of 456.887 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 6 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 6 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: NVE simulation: will use the initial temperature of 456.887 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 6 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 6 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps. 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 456.887 K 44: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 456.887 K 44: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.111 0.056 199.5 44: (ns/day) (hour/ns) 44: Performance: 26.389 0.909 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.010 0.005 196.0 44: (ns/day) (hour/ns) 44: Performance: 158.934 0.151 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.028 0.014 198.7 44: (ns/day) (hour/ns) 44: Performance: 55.797 0.430 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (126 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 5 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 5 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.744 to 0.868 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps. 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.748 nm, buffer size 0.048 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.744 nm, buffer size 0.044 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.748 nm, buffer size 0.048 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.744 nm, buffer size 0.044 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.019 0.009 197.7 44: (ns/day) (hour/ns) 44: Performance: 155.465 0.154 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.744 to 0.868 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.023 0.012 197.6 44: (ns/day) (hour/ns) 44: Performance: 66.573 0.361 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.744 to 0.868 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.014 0.007 196.8 44: (ns/day) (hour/ns) 44: Performance: 110.089 0.218 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (967 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 5 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 5 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 40, rlist from 0.726 to 0.869 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps. 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.729 nm, buffer size 0.029 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.726 nm, buffer size 0.026 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.729 nm, buffer size 0.029 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.726 nm, buffer size 0.026 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.020 0.010 198.4 44: (ns/day) (hour/ns) 44: Performance: 147.835 0.162 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 40, rlist from 0.726 to 0.869 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.012 0.006 194.7 44: (ns/day) (hour/ns) 44: Performance: 125.727 0.191 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 40, rlist from 0.726 to 0.869 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.020 0.010 197.6 44: (ns/day) (hour/ns) 44: Performance: 77.978 0.308 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (129 ms) 44: [----------] 12 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact (3734 ms total) 44: 44: [----------] 4 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact 44: [ RUN ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 293.480 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 293.480 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 44: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 44: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.016 0.008 197.1 44: (ns/day) (hour/ns) 44: Performance: 185.086 0.130 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.009 0.004 193.8 44: (ns/day) (hour/ns) 44: Performance: 175.226 0.137 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.011 0.005 195.4 44: (ns/day) (hour/ns) 44: Performance: 141.668 0.169 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (139 ms) 44: [ RUN ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 293.480 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 293.480 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 44: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 44: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.733 0.366 200.0 44: (ns/day) (hour/ns) 44: Performance: 4.008 5.988 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.024 0.012 198.8 44: (ns/day) (hour/ns) 44: Performance: 63.168 0.380 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.019 0.009 198.4 44: (ns/day) (hour/ns) 44: Performance: 81.976 0.293 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (466 ms) 44: [ RUN ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.728 to 0.805 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.729 nm, buffer size 0.029 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.728 nm, buffer size 0.028 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.729 nm, buffer size 0.029 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.728 nm, buffer size 0.028 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.014 0.007 196.0 44: (ns/day) (hour/ns) 44: Performance: 204.637 0.117 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.728 to 0.805 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.053 0.027 198.6 44: (ns/day) (hour/ns) 44: Performance: 29.044 0.826 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.728 to 0.805 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.021 0.011 198.3 44: (ns/day) (hour/ns) 44: Performance: 73.605 0.326 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (568 ms) 44: [ RUN ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.020 0.010 197.0 44: (ns/day) (hour/ns) 44: Performance: 144.107 0.167 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.105 0.053 199.1 44: (ns/day) (hour/ns) 44: Performance: 14.695 1.633 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.040 0.020 198.7 44: (ns/day) (hour/ns) 44: Performance: 38.242 0.628 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (230 ms) 44: [----------] 4 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact (1403 ms total) 44: 44: [----------] 6 tests from NVT/MdrunNoAppendContinuationIsExact 44: [ RUN ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 195.5 44: (ns/day) (hour/ns) 44: Performance: 419.031 0.057 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.485 0.243 199.9 44: (ns/day) (hour/ns) 44: Performance: 3.206 7.486 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.594 0.297 199.9 44: (ns/day) (hour/ns) 44: Performance: 2.617 9.170 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (564 ms) 44: [ RUN ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.023 0.011 198.9 44: (ns/day) (hour/ns) 44: Performance: 128.547 0.187 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 195.9 44: (ns/day) (hour/ns) 44: Performance: 237.337 0.101 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 195.3 44: (ns/day) (hour/ns) 44: Performance: 214.671 0.112 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (35 ms) 44: [ RUN ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.009 0.005 197.1 44: (ns/day) (hour/ns) 44: Performance: 312.308 0.077 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 195.5 44: (ns/day) (hour/ns) 44: Performance: 240.860 0.100 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.069 0.034 199.4 44: (ns/day) (hour/ns) 44: Performance: 22.567 1.063 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (63 ms) 44: [ RUN ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 1.182 0.591 200.0 44: (ns/day) (hour/ns) 44: Performance: 2.485 9.658 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.582 0.291 199.9 44: (ns/day) (hour/ns) 44: Performance: 2.672 8.983 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.009 0.004 195.5 44: (ns/day) (hour/ns) 44: Performance: 174.020 0.138 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (909 ms) 44: [ RUN ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.011 0.005 198.5 44: (ns/day) (hour/ns) 44: Performance: 275.691 0.087 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 197.6 44: (ns/day) (hour/ns) 44: Performance: 215.878 0.111 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 197.8 44: (ns/day) (hour/ns) 44: Performance: 250.749 0.096 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (33 ms) 44: [ RUN ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 196.2 44: (ns/day) (hour/ns) 44: Performance: 414.492 0.058 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.132 0.066 199.7 44: (ns/day) (hour/ns) 44: Performance: 11.768 2.039 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.063 0.032 199.3 44: (ns/day) (hour/ns) 44: Performance: 24.511 0.979 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (118 ms) 44: [----------] 6 tests from NVT/MdrunNoAppendContinuationIsExact (1722 ms total) 44: 44: [----------] 4 tests from NPH/MdrunNoAppendContinuationIsExact 44: [ RUN ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.054 0.027 199.1 44: (ns/day) (hour/ns) 44: Performance: 54.654 0.439 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.028 0.014 198.5 44: (ns/day) (hour/ns) 44: Performance: 55.661 0.431 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.015 0.008 197.9 44: (ns/day) (hour/ns) 44: Performance: 101.251 0.237 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (89 ms) 44: [ RUN ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.013 0.006 197.4 44: (ns/day) (hour/ns) 44: Performance: 230.053 0.104 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.430 0.215 199.9 44: (ns/day) (hour/ns) 44: Performance: 3.616 6.636 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.011 0.006 197.2 44: (ns/day) (hour/ns) 44: Performance: 134.694 0.178 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (579 ms) 44: [ RUN ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/2 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.058 0.029 199.1 44: (ns/day) (hour/ns) 44: Performance: 50.333 0.477 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.057 0.029 199.5 44: (ns/day) (hour/ns) 44: Performance: 27.256 0.881 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 196.1 44: (ns/day) (hour/ns) 44: Performance: 190.965 0.126 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (123 ms) 44: [ RUN ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/3 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.019 0.009 199.1 44: (ns/day) (hour/ns) 44: Performance: 154.882 0.155 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.009 0.004 198.8 44: (ns/day) (hour/ns) 44: Performance: 173.484 0.138 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 198.6 44: (ns/day) (hour/ns) 44: Performance: 188.919 0.127 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (37 ms) 44: [----------] 4 tests from NPH/MdrunNoAppendContinuationIsExact (828 ms total) 44: 44: [----------] 12 tests from NPT/MdrunNoAppendContinuationIsExact 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 4.318 2.159 200.0 44: (ns/day) (hour/ns) 44: Performance: 0.680 35.283 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.003 194.4 44: (ns/day) (hour/ns) 44: Performance: 231.739 0.104 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.003 197.1 44: (ns/day) (hour/ns) 44: Performance: 229.844 0.104 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (2189 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.009 0.004 197.5 44: (ns/day) (hour/ns) 44: Performance: 336.130 0.071 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.067 0.034 199.6 44: (ns/day) (hour/ns) 44: Performance: 23.150 1.037 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 196.3 44: (ns/day) (hour/ns) 44: Performance: 276.280 0.087 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (53 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.097 0.048 199.8 44: (ns/day) (hour/ns) 44: Performance: 30.292 0.792 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.120 0.060 199.8 44: (ns/day) (hour/ns) 44: Performance: 12.980 1.849 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 196.7 44: (ns/day) (hour/ns) 44: Performance: 189.820 0.126 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (126 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.012 0.006 197.1 44: (ns/day) (hour/ns) 44: Performance: 249.235 0.096 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 196.5 44: (ns/day) (hour/ns) 44: Performance: 270.708 0.089 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 195.2 44: (ns/day) (hour/ns) 44: Performance: 293.669 0.082 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (28 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 44: 44: 44: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Using Berendsen pressure coupling invalidates the true ensemble for the 44: thermostat 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: There was 1 warning 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 44: 44: 44: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Using Berendsen pressure coupling invalidates the true ensemble for the 44: thermostat 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: There was 1 warning 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.064 0.032 199.5 44: (ns/day) (hour/ns) 44: Performance: 45.710 0.525 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 196.5 44: (ns/day) (hour/ns) 44: Performance: 238.692 0.101 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 196.1 44: (ns/day) (hour/ns) 44: Performance: 240.629 0.100 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (275 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 195.8 44: (ns/day) (hour/ns) 44: Performance: 346.744 0.069 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 195.1 44: (ns/day) (hour/ns) 44: Performance: 246.392 0.097 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 195.4 44: (ns/day) (hour/ns) 44: Performance: 262.790 0.091 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (28 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.114 0.057 199.7 44: (ns/day) (hour/ns) 44: Performance: 25.781 0.931 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 196.7 44: (ns/day) (hour/ns) 44: Performance: 209.164 0.115 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.037 0.019 199.4 44: (ns/day) (hour/ns) 44: Performance: 41.949 0.572 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (195 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 44: [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (0 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/8 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.017 0.009 198.0 44: (ns/day) (hour/ns) 44: Performance: 172.223 0.139 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.003 194.4 44: (ns/day) (hour/ns) 44: Performance: 227.869 0.105 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.014 0.007 197.4 44: (ns/day) (hour/ns) 44: Performance: 106.106 0.226 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (38 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/9 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.009 0.004 197.9 44: (ns/day) (hour/ns) 44: Performance: 327.308 0.073 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 197.3 44: (ns/day) (hour/ns) 44: Performance: 189.743 0.126 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.202 0.101 199.9 44: (ns/day) (hour/ns) 44: Performance: 7.700 3.117 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (131 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/10 44: [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (0 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/11 44: [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (0 ms) 44: [----------] 12 tests from NPT/MdrunNoAppendContinuationIsExact (3063 ms total) 44: 44: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact 44: [ RUN ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.012 0.006 196.6 44: (ns/day) (hour/ns) 44: Performance: 241.706 0.099 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.017 0.009 196.9 44: (ns/day) (hour/ns) 44: Performance: 91.180 0.263 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 196.0 44: (ns/day) (hour/ns) 44: Performance: 179.637 0.134 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as single precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (43 ms) 44: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact (43 ms total) 44: 44: [----------] 3 tests from Checking/InitialConstraintsTest 44: [ RUN ] Checking/InitialConstraintsTest.Works/0 44: Setting the LD random seed to 1988090866 44: Generated 8 of the 10 non-bonded parameter combinations 44: Excluding 2 bonded neighbours molecule type 'Methanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group rest is 11.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 1141.954 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_0_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc-and-methanol' 44: 1 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 0.0001 kJ/mol/ps at 1141.95 K 44: Calculated rlist for 1x1 atom pair-list as 1.101 nm, buffer size 0.101 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.096 nm, buffer size 0.096 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 193.0 44: (ns/day) (hour/ns) 44: Performance: 48.715 0.493 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_0_spc-and-methanol.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 [ OK ] Checking/InitialConstraintsTest.Works/0 (706 ms) 44: [ RUN ] Checking/InitialConstraintsTest.Works/1 44: Setting the LD random seed to -934238 44: Generated 8 of the 10 non-bonded parameter combinations 44: Excluding 2 bonded neighbours molecule type 'Methanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group rest is 11.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 1141.954 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_1_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc-and-methanol' 44: 1 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 0.0001 kJ/mol/ps at 1141.95 K 44: Calculated rlist for 1x1 atom pair-list as 1.101 nm, buffer size 0.101 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.096 nm, buffer size 0.096 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 196.9 44: (ns/day) (hour/ns) 44: Performance: 60.122 0.399 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_1_spc-and-methanol.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 [ OK ] Checking/InitialConstraintsTest.Works/1 (12 ms) 44: [ RUN ] Checking/InitialConstraintsTest.Works/2 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_input.mdp]: 44: Integrator method md-vv-avek is implemented primarily for validation 44: purposes; for molecular dynamics, you should probably be using md or md-vv 44: 44: Setting the LD random seed to 2147482323 44: Generated 8 of the 10 non-bonded parameter combinations 44: Excluding 2 bonded neighbours molecule type 'Methanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group rest is 11.00 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_input.mdp]: 44: NVE simulation: will use the initial temperature of 1141.954 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc-and-methanol' 44: 1 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 0.0001 kJ/mol/ps at 1141.95 K 44: Calculated rlist for 1x1 atom pair-list as 1.101 nm, buffer size 0.101 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.096 nm, buffer size 0.096 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.003 191.4 44: (ns/day) (hour/ns) 44: Performance: 50.036 0.480 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_spc-and-methanol.edr as single precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 [ OK ] Checking/InitialConstraintsTest.Works/2 (16 ms) 44: [----------] 3 tests from Checking/InitialConstraintsTest (734 ms total) 44: 44: [----------] Global test environment tear-down 44: [==========] 51 tests from 9 test cases ran. (12014 ms total) 44: [ PASSED ] 51 tests. 44/54 Test #44: MdrunIOTests ........................ Passed 12.09 sec test 45 Start 45: MdrunTests 45: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/mdrun-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MdrunTests.xml" 45: Test timeout computed to be: 600 45: [==========] Running 12 tests from 5 test cases. 45: [----------] Global test environment set-up. 45: [----------] 1 test from DispersionCorrectionTest 45: [ RUN ] DispersionCorrectionTest.DispersionCorrectionCanRun 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DispersionCorrectionTest_DispersionCorrectionCanRun_input.mdp]: 45: The Berendsen thermostat does not generate the correct kinetic energy 45: distribution. You might want to consider using the V-rescale thermostat. 45: 45: Setting the LD random seed to -1074274355 45: Generated 2145 of the 2145 non-bonded parameter combinations 45: Generating 1-4 interactions: fudge = 0.5 45: Generated 2145 of the 2145 1-4 parameter combinations 45: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 45: Cleaning up constraints and constant bonded interactions with virtual sites 45: Converted 3 Bonds with virtual sites to connections, 7 left 45: Removed 18 Angles with virtual sites, 21 left 45: Removed 10 Proper Dih.s with virtual sites, 44 left 45: Converted 12 Constraints with virtual sites to connections, 0 left 45: Number of degrees of freedom in T-Coupling group System is 30.00 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DispersionCorrectionTest_DispersionCorrectionCanRun_input.mdp]: 45: There are 9 non-linear virtual site constructions. Their contribution to 45: the energy error is approximated. In most cases this does not affect the 45: error significantly. 45: 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DispersionCorrectionTest_DispersionCorrectionCanRun_input.mdp]: 45: You are using a plain Coulomb cut-off, which might produce artifacts. 45: You might want to consider using PME electrostatics. 45: 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DispersionCorrectionTest_DispersionCorrectionCanRun.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: Changing nstlist from 10 to 50, rlist from 1.016 to 1.167 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Alanine dipeptide in vacuo' 45: 200 steps, 0.4 ps. 45: turning H bonds into constraints... 45: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K 45: Calculated rlist for 1x1 atom pair-list as 1.028 nm, buffer size 0.028 nm 45: Set rlist, assuming 4x4 atom pair-list, to 1.016 nm, buffer size 0.016 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.051 0.026 199.2 45: (ns/day) (hour/ns) 45: Performance: 1357.106 0.018 45: [ OK ] DispersionCorrectionTest.DispersionCorrectionCanRun (499 ms) 45: [----------] 1 test from DispersionCorrectionTest (499 ms total) 45: 45: [----------] 1 test from OriresTest 45: [ RUN ] OriresTest.OriresCanRun 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/OriresTest_OriresCanRun_input.mdp]: 45: The Berendsen thermostat does not generate the correct kinetic energy 45: distribution. You might want to consider using the V-rescale thermostat. 45: 45: Setting the LD random seed to -1208230017 45: Generated 2145 of the 2145 non-bonded parameter combinations 45: Generating 1-4 interactions: fudge = 0.5 45: Generated 2145 of the 2145 1-4 parameter combinations 45: Excluding 3 bonded neighbours molecule type 'Protein_chain_A' 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Number of degrees of freedom in T-Coupling group System is 518.00 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/OriresTest_OriresCanRun_input.mdp]: 45: You are using a plain Coulomb cut-off, which might produce artifacts. 45: You might want to consider using PME electrostatics. 45: 45: 45: 45: There were 2 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/OriresTest_OriresCanRun.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: 45: Orientation restraints only supports a single rank. Choosing to use only a single thread-MPI rank. 45: Changing nstlist from 10 to 25, rlist from 1.054 to 1.164 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'GUANINE NUCLEOTIDE-BINDING PROTEIN G(T), ALPHA-1' 45: 10 steps, 0.0 ps. 45: turning H bonds into constraints... 45: turning H bonds into constraints... 45: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K 45: Calculated rlist for 1x1 atom pair-list as 1.073 nm, buffer size 0.073 nm 45: Set rlist, assuming 4x4 atom pair-list, to 1.054 nm, buffer size 0.054 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.952 0.476 200.0 45: (ns/day) (hour/ns) 45: Performance: 3.994 6.009 45: [ OK ] OriresTest.OriresCanRun (869 ms) 45: [----------] 1 test from OriresTest (869 ms total) 45: 45: [----------] 3 tests from PmeTest 45: [ RUN ] PmeTest.ReproducesEnergies 45: Setting the LD random seed to -1159250017 45: Generated 8 of the 10 non-bonded parameter combinations 45: Excluding 2 bonded neighbours molecule type 'Methanol' 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Number of degrees of freedom in T-Coupling group rest is 12.00 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_input.mdp]: 45: NVE simulation: will use the initial temperature of 1046.791 K for 45: determining the Verlet buffer size 45: 45: Estimate for the relative computational load of the PME mesh part: 1.00 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_input.mdp]: 45: The optimal PME mesh load for parallel simulations is below 0.5 45: and for highly parallel simulations between 0.25 and 0.33, 45: for higher performance, increase the cut-off and the PME grid spacing. 45: 45: 45: 45: There were 2 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc-and-methanol' 45: 20 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 45: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 45: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: Calculating fourier grid dimensions for X Y Z 45: Using a fourier grid of 28x28x28, spacing 0.108 0.108 0.108 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.157 0.079 199.6 45: (ns/day) (hour/ns) 45: Performance: 23.074 1.040 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeAuto.edr as single precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 Reading energy frame 2 time 0.002 Reading energy frame 3 time 0.003 Reading energy frame 4 time 0.004 Reading energy frame 5 time 0.005 Reading energy frame 6 time 0.006 Reading energy frame 7 time 0.007 Reading energy frame 8 time 0.008 Reading energy frame 9 time 0.009 Reading energy frame 10 time 0.010 Reading energy frame 11 time 0.011 Reading energy frame 12 time 0.012 Reading energy frame 13 time 0.013 Reading energy frame 14 time 0.014 Reading energy frame 15 time 0.015 Reading energy frame 16 time 0.016 Reading energy frame 17 time 0.017 Reading energy frame 18 time 0.018 Reading energy frame 19 time 0.019 Reading energy frame 20 time 0.020 Last energy frame read 20 time 0.020 Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc-and-methanol' 45: 20 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.381 0.190 199.9 45: (ns/day) (hour/ns) 45: Performance: 9.528 2.519 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpu.edr as single precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 Reading energy frame 2 time 0.002 Reading energy frame 3 time 0.003 Reading energy frame 4 time 0.004 Reading energy frame 5 time 0.005 Reading energy frame 6 time 0.006 Reading energy frame 7 time 0.007 Reading energy frame 8 time 0.008 Reading energy frame 9 time 0.009 Reading energy frame 10 time 0.010 Reading energy frame 11 time 0.011 Reading energy frame 12 time 0.012 Reading energy frame 13 time 0.013 Reading energy frame 14 time 0.014 Reading energy frame 15 time 0.015 Reading energy frame 16 time 0.016 Reading energy frame 17 time 0.017 Reading energy frame 18 time 0.018 Reading energy frame 19 time 0.019 Reading energy frame 20 time 0.020 Last energy frame read 20 time 0.020 Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc-and-methanol' 45: 20 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.031 0.016 198.7 45: (ns/day) (hour/ns) 45: Performance: 115.454 0.208 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpuTune.edr as single precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 Reading energy frame 2 time 0.002 Reading energy frame 3 time 0.003 Reading energy frame 4 time 0.004 Reading energy frame 5 time 0.005 Reading energy frame 6 time 0.006 Reading energy frame 7 time 0.007 Reading energy frame 8 time 0.008 Reading energy frame 9 time 0.009 Reading energy frame 10 time 0.010 Reading energy frame 11 time 0.011 Reading energy frame 12 time 0.012 Reading energy frame 13 time 0.013 Reading energy frame 14 time 0.014 Reading energy frame 15 time 0.015 Reading energy frame 16 time 0.016 Reading energy frame 17 time 0.017 Reading energy frame 18 time 0.018 Reading energy frame 19 time 0.019 Reading energy frame 20 time 0.020 Last energy frame read 20 time 0.020 [ OK ] PmeTest.ReproducesEnergies (536 ms) 45: [ RUN ] PmeTest.ScalesTheBox 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to 1870659574 45: Generated 8 of the 10 non-bonded parameter combinations 45: Excluding 2 bonded neighbours molecule type 'Methanol' 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Number of degrees of freedom in T-Coupling group rest is 12.00 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]: 45: NVE simulation: will use the initial temperature of 1046.791 K for 45: determining the Verlet buffer size 45: 45: Estimate for the relative computational load of the PME mesh part: 1.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]: 45: The optimal PME mesh load for parallel simulations is below 0.5 45: and for highly parallel simulations between 0.25 and 0.33, 45: for higher performance, increase the cut-off and the PME grid spacing. 45: 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc-and-methanol' 45: 0 steps, 0.0 ps. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.002 0.001 183.1 45: (ns/day) (hour/ns) 45: Performance: 88.001 0.273 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_spc-and-methanol_PmeOnCpu.edr as single precision energy file 45: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 45: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 45: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: Calculating fourier grid dimensions for X Y Z 45: Using a fourier grid of 28x28x28, spacing 0.108 0.108 0.108 45: This run will generate roughly 0 Mb of data 45: [ OK ] PmeTest.ScalesTheBox (164 ms) 45: [ RUN ] PmeTest.ScalesTheBoxWithWalls 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to -145375241 45: Generated 8 of the 10 non-bonded parameter combinations 45: Excluding 2 bonded neighbours molecule type 'Methanol' 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Searching the wall atom type(s) 45: Number of degrees of freedom in T-Coupling group rest is 13.00 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]: 45: NVE simulation: will use the initial temperature of 966.268 K for 45: determining the Verlet buffer size 45: 45: Estimate for the relative computational load of the PME mesh part: 1.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]: 45: The optimal PME mesh load for parallel simulations is below 0.5 45: and for highly parallel simulations between 0.25 and 0.33, 45: for higher performance, increase the cut-off and the PME grid spacing. 45: 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc-and-methanol' 45: 0 steps, 0.0 ps. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.011 0.006 194.3 45: (ns/day) (hour/ns) 45: Performance: 15.149 1.584 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_spc-and-methanol_PmeOnCpu.edr as single precision energy file 45: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 966.268 K 45: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 45: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: Calculating fourier grid dimensions for X Y Z 45: Using a fourier grid of 28x28x128, spacing 0.108 0.108 0.118 45: This run will generate roughly 0 Mb of data 45: [ OK ] PmeTest.ScalesTheBoxWithWalls (901 ms) 45: [----------] 3 tests from PmeTest (1601 ms total) 45: 45: [----------] 1 test from CompelTest 45: [ RUN ] CompelTest.SwapCanRun 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun_input.mdp]: 45: The Berendsen thermostat does not generate the correct kinetic energy 45: distribution. You might want to consider using the V-rescale thermostat. 45: 45: Setting the LD random seed to -1142161474 45: Generated 330891 of the 330891 non-bonded parameter combinations 45: Generating 1-4 interactions: fudge = 0.5 45: Generated 330891 of the 330891 1-4 parameter combinations 45: Excluding 3 bonded neighbours molecule type 'Protein' 45: Excluding 3 bonded neighbours molecule type 'OCT' 45: Excluding 1 bonded neighbours molecule type 'NA' 45: Excluding 1 bonded neighbours molecule type 'CL' 45: Excluding 3 bonded neighbours molecule type 'Protein' 45: Excluding 3 bonded neighbours molecule type 'OCT' 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Split0 group 'Ch0' contains 83 atoms. 45: Split1 group 'Ch1' contains 83 atoms. 45: Solvent group 'SOL' contains 11931 atoms. 45: Swap group 'NA+' contains 19 atoms. 45: Swap group 'CL-' contains 19 atoms. 45: Number of degrees of freedom in T-Coupling group System is 27869.00 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun_input.mdp]: 45: Removing center of mass motion in the presence of position restraints 45: might cause artifacts. When you are using position restraints to 45: equilibrate a macro-molecule, the artifacts are usually negligible. 45: 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun_input.mdp]: 45: You are using a plain Coulomb cut-off, which might produce artifacts. 45: You might want to consider using PME electrostatics. 45: 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: SWAP: Determining initial numbers of ions per compartment. 45: SWAP: Setting pointers for checkpoint writing 45: SWAP: Channel 0 flux history for ion type NA+ (charge 1): 0 molecules 45: SWAP: Channel 1 flux history for ion type NA+ (charge 1): 0 molecules 45: SWAP: Channel 0 flux history for ion type CL- (charge -1): 0 molecules 45: SWAP: Channel 1 flux history for ion type CL- (charge -1): 0 molecules 45: starting mdrun 'Channel_coco in octane membrane' 45: 2 steps, 0.0 ps. 45: turning all bonds into constraints... 45: turning all bonds into constraints... 45: turning all bonds into constraints... 45: turning all bonds into constraints... 45: turning all bonds into constraints... 45: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K 45: Calculated rlist for 1x1 atom pair-list as 1.314 nm, buffer size 0.314 nm 45: Set rlist, assuming 4x4 atom pair-list, to 1.260 nm, buffer size 0.260 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 1 Mb of data 45: 45: Writing final coordinates. 45: 45: NOTE: 34 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 1.078 0.539 200.0 45: (ns/day) (hour/ns) 45: Performance: 2.403 9.988 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: Overriding nsteps with value passed on the command line: 2 steps, 0.01 ps 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: SWAP: Setting pointers for checkpoint writing 45: SWAP: Copying channel fluxes from checkpoint file data 45: SWAP: Channel 0 flux history for ion type NA+ (charge 1): 0 molecules 45: SWAP: Channel 1 flux history for ion type NA+ (charge 1): 0 molecules 45: SWAP: Channel 0 flux history for ion type CL- (charge -1): 0 molecules 45: SWAP: Channel 1 flux history for ion type CL- (charge -1): 0 molecules 45: starting mdrun 'Channel_coco in octane membrane' 45: 4 steps, 0.0 ps (continuing from step 2, 0.0 ps). 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.701 0.351 199.9 45: (ns/day) (hour/ns) 45: Performance: 3.694 6.497 45: [ OK ] CompelTest.SwapCanRun (2245 ms) 45: [----------] 1 test from CompelTest (2245 ms total) 45: 45: [----------] 6 tests from BondedInteractionsTest 45: [ RUN ] BondedInteractionsTest.NormalBondWorks 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalBondWorks_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to -71324675 45: Generated 3 of the 3 non-bonded parameter combinations 45: Excluding 3 bonded neighbours molecule type 'butane' 45: 45: NOTE 2 [file BondedInteractionsTest_NormalBondWorks_butane1.top, line 31]: 45: In moleculetype 'butane' 2 atoms are not bound by a potential or 45: constraint to any other atom in the same moleculetype. Although 45: technically this might not cause issues in a simulation, this often means 45: that the user forgot to add a bond/potential/constraint or put multiple 45: molecules in the same moleculetype definition by mistake. Run with -v to 45: get information for each atom. 45: 45: Number of degrees of freedom in T-Coupling group rest is 9.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalBondWorks_input.mdp]: 45: NVE simulation with an initial temperature of zero: will use a Verlet 45: buffer of 10%. Check your energy drift! 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalBondWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting md rerun 'A single butane', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/butane1.gro' 45: 45: Reading frames from gro file 'A single butane', 4 atoms. 45: Reading frame 0 time 0.000 Last frame 0 time 0.000 45: 45: NOTE: 16 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.001 0.000 187.5 45: (ns/day) (hour/ns) 45: Performance: 226.210 0.106 45: This run will generate roughly 0 Mb of data 45: [ OK ] BondedInteractionsTest.NormalBondWorks (20 ms) 45: [ RUN ] BondedInteractionsTest.TabulatedBondWorks 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to -277436185 45: Generated 3 of the 3 non-bonded parameter combinations 45: Excluding 3 bonded neighbours molecule type 'butane' 45: 45: NOTE 2 [file BondedInteractionsTest_TabulatedBondWorks_butane1.top, line 31]: 45: In moleculetype 'butane' 2 atoms are not bound by a potential or 45: constraint to any other atom in the same moleculetype. Although 45: technically this might not cause issues in a simulation, this often means 45: that the user forgot to add a bond/potential/constraint or put multiple 45: molecules in the same moleculetype definition by mistake. Run with -v to 45: get information for each atom. 45: 45: Number of degrees of freedom in T-Coupling group rest is 9.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks_input.mdp]: 45: NVE simulation with an initial temperature of zero: will use a Verlet 45: buffer of 10%. Check your energy drift! 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting md rerun 'A single butane', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/butane1.gro' 45: 45: Reading frames from gro file 'A single butane', 4 atoms. 45: Reading frame 0 time 0.000 Last frame 0 time 0.000 45: 45: NOTE: 11 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.002 0.001 187.0 45: (ns/day) (hour/ns) 45: Performance: 99.694 0.241 45: This run will generate roughly 0 Mb of data 45: [ OK ] BondedInteractionsTest.TabulatedBondWorks (91 ms) 45: [ RUN ] BondedInteractionsTest.NormalAngleWorks 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to 2143285183 45: Generated 3 of the 3 non-bonded parameter combinations 45: Excluding 3 bonded neighbours molecule type 'butane' 45: 45: NOTE 2 [file BondedInteractionsTest_NormalAngleWorks_butane1.top, line 31]: 45: In moleculetype 'butane' 4 atoms are not bound by a potential or 45: constraint to any other atom in the same moleculetype. Although 45: technically this might not cause issues in a simulation, this often means 45: that the user forgot to add a bond/potential/constraint or put multiple 45: molecules in the same moleculetype definition by mistake. Run with -v to 45: get information for each atom. 45: 45: Number of degrees of freedom in T-Coupling group rest is 9.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks_input.mdp]: 45: NVE simulation with an initial temperature of zero: will use a Verlet 45: buffer of 10%. Check your energy drift! 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting md rerun 'A single butane', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/butane1.gro' 45: 45: Reading frames from gro file 'A single butane', 4 atoms. 45: Reading frame 0 time 0.000 Last frame 0 time 0.000 45: 45: NOTE: 15 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.001 0.000 187.3 45: (ns/day) (hour/ns) 45: Performance: 203.818 0.118 45: This run will generate roughly 0 Mb of data 45: [ OK ] BondedInteractionsTest.NormalAngleWorks (9 ms) 45: [ RUN ] BondedInteractionsTest.TabulatedAngleWorks 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedAngleWorks_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to 469761919 45: Generated 3 of the 3 non-bonded parameter combinations 45: Excluding 3 bonded neighbours molecule type 'butane' 45: 45: NOTE 2 [file BondedInteractionsTest_TabulatedAngleWorks_butane1.top, line 31]: 45: In moleculetype 'butane' 4 atoms are not bound by a potential or 45: constraint to any other atom in the same moleculetype. Although 45: technically this might not cause issues in a simulation, this often means 45: that the user forgot to add a bond/potential/constraint or put multiple 45: molecules in the same moleculetype definition by mistake. Run with -v to 45: get information for each atom. 45: 45: Number of degrees of freedom in T-Coupling group rest is 9.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedAngleWorks_input.mdp]: 45: NVE simulation with an initial temperature of zero: will use a Verlet 45: buffer of 10%. Check your energy drift! 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedAngleWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting md rerun 'A single butane', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/butane1.gro' 45: 45: Reading frames from gro file 'A single butane', 4 atoms. 45: Reading frame 0 time 0.000 Last frame 0 time 0.000 45: 45: NOTE: 15 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.001 0.000 188.7 45: (ns/day) (hour/ns) 45: Performance: 185.935 0.129 45: This run will generate roughly 0 Mb of data 45: [ OK ] BondedInteractionsTest.TabulatedAngleWorks (17 ms) 45: [ RUN ] BondedInteractionsTest.NormalDihedralWorks 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalDihedralWorks_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to -402870657 45: Generated 3 of the 3 non-bonded parameter combinations 45: Excluding 3 bonded neighbours molecule type 'butane' 45: 45: NOTE 2 [file BondedInteractionsTest_NormalDihedralWorks_butane1.top, line 31]: 45: In moleculetype 'butane' 4 atoms are not bound by a potential or 45: constraint to any other atom in the same moleculetype. Although 45: technically this might not cause issues in a simulation, this often means 45: that the user forgot to add a bond/potential/constraint or put multiple 45: molecules in the same moleculetype definition by mistake. Run with -v to 45: get information for each atom. 45: 45: Number of degrees of freedom in T-Coupling group rest is 9.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalDihedralWorks_input.mdp]: 45: NVE simulation with an initial temperature of zero: will use a Verlet 45: buffer of 10%. Check your energy drift! 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalDihedralWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting md rerun 'A single butane', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/butane1.gro' 45: 45: Reading frames from gro file 'A single butane', 4 atoms. 45: Reading frame 0 time 0.000 Last frame 0 time 0.000 45: 45: NOTE: 13 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.001 0.000 188.4 45: (ns/day) (hour/ns) 45: Performance: 220.297 0.109 45: This run will generate roughly 0 Mb of data 45: [ OK ] BondedInteractionsTest.NormalDihedralWorks (7 ms) 45: [ RUN ] BondedInteractionsTest.TabulatedDihedralWorks 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to -84968225 45: Generated 3 of the 3 non-bonded parameter combinations 45: Excluding 3 bonded neighbours molecule type 'butane' 45: 45: NOTE 2 [file BondedInteractionsTest_TabulatedDihedralWorks_butane1.top, line 31]: 45: In moleculetype 'butane' 4 atoms are not bound by a potential or 45: constraint to any other atom in the same moleculetype. Although 45: technically this might not cause issues in a simulation, this often means 45: that the user forgot to add a bond/potential/constraint or put multiple 45: molecules in the same moleculetype definition by mistake. Run with -v to 45: get information for each atom. 45: 45: Number of degrees of freedom in T-Coupling group rest is 9.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks_input.mdp]: 45: NVE simulation with an initial temperature of zero: will use a Verlet 45: buffer of 10%. Check your energy drift! 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting md rerun 'A single butane', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/butane1.gro' 45: 45: Reading frames from gro file 'A single butane', 4 atoms. 45: Reading frame 0 time 0.000 Last frame 0 time 0.000 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.001 0.001 188.1 45: (ns/day) (hour/ns) 45: Performance: 160.704 0.149 45: This run will generate roughly 0 Mb of data 45: [ OK ] BondedInteractionsTest.TabulatedDihedralWorks (17 ms) 45: [----------] 6 tests from BondedInteractionsTest (161 ms total) 45: 45: [----------] Global test environment tear-down 45: [==========] 12 tests from 5 test cases ran. (5376 ms total) 45: [ PASSED ] 12 tests. 45: 45: YOU HAVE 12 DISABLED TESTS 45: 45/54 Test #45: MdrunTests .......................... Passed 5.55 sec test 46 Start 46: MdrunNonIntegratorTests 46: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/mdrun-non-integrator-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MdrunNonIntegratorTests.xml" 46: Test timeout computed to be: 600 46: [==========] Running 58 tests from 5 test cases. 46: [----------] Global test environment set-up. 46: [----------] 1 test from NonbondedBenchTest 46: [ RUN ] NonbondedBenchTest.BasicEndToEndTest 46: SIMD width: 4 46: System size: 3000 atoms 46: Cut-off radius: 1 nm 46: Number of threads: 1 46: Number of iterations: 1 46: Compute energies: no 46: Ewald excl. corr.: analytical 46: 46: Coulomb LJ comb. SIMD Mcycles Mcycles/it. pairs/cycle 46: total useful 46: Ewald all geom. 4xM 19.430 19.4301 0.0613 0.0324 46: [ OK ] NonbondedBenchTest.BasicEndToEndTest (35 ms) 46: [----------] 1 test from NonbondedBenchTest (35 ms total) 46: 46: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest 46: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Steepest Descents: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Steepest Descents did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = -4.7990963e+01 46: Maximum force = 1.8629691e+02 on atom 13 46: Norm of force = 8.7721773e+01 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Reading energy frame 3 time 3.000 Reading energy frame 4 time 4.000 Last energy frame read 4 time 4.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (1333 ms) 46: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Polak-Ribiere Conjugate Gradients: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: F-max = 3.02331e+02 on atom 3 46: F-Norm = 1.18024e+02 46: 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = -5.5862499e+01 46: Maximum force = 4.2727313e+02 on atom 13 46: Norm of force = 1.8452925e+02 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (827 ms) 46: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 20503 of the 20503 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 1 46: Generated 17396 of the 20503 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Glycine' 46: Number of degrees of freedom in T-Coupling group System is 22.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Steepest Descents: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Steepest Descents did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = 3.1937723e+02 46: Maximum force = 9.9988623e+03 on atom 9 46: Norm of force = 4.6166987e+03 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Reading energy frame 3 time 3.000 Reading energy frame 4 time 4.000 Last energy frame read 4 time 4.000 turning H bonds into constraints... 46: This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (233 ms) 46: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 20503 of the 20503 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 1 46: Generated 17396 of the 20503 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Glycine' 46: 46: NOTE 3 [file glycine_vacuo.top, line 12]: 46: For accurate cg with LINCS constraints, lincs-order should be 8 or more. 46: 46: Number of degrees of freedom in T-Coupling group System is 22.00 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Polak-Ribiere Conjugate Gradients: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: F-max = 2.41575e+04 on atom 10 46: F-Norm = 1.18451e+04 46: 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = 1.5174380e+02 46: Maximum force = 7.4208838e+03 on atom 9 46: Norm of force = 3.5693002e+03 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 turning H bonds into constraints... 46: This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (312 ms) 46: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 2145 of the 2145 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2145 of the 2145 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 46: 46: NOTE 3 [file unknown]: 46: You are using constraints on all bonds, whereas the forcefield has been 46: parametrized only with constraints involving hydrogen atoms. We suggest 46: using constraints = h-bonds instead, this will also improve performance. 46: 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Removed 18 Angles with virtual sites, 21 left 46: Removed 10 Proper Dih.s with virtual sites, 44 left 46: Converted 15 Constraints with virtual sites to connections, 7 left 46: Number of degrees of freedom in T-Coupling group System is 23.00 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Steepest Descents: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Steepest Descents did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = -1.5698450e+02 46: Maximum force = 4.5703430e+02 on atom 17 46: Norm of force = 1.8327605e+02 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 3.000 Last energy frame read 2 time 3.000 turning all bonds into constraints... 46: This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (145 ms) 46: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 2145 of the 2145 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2145 of the 2145 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 46: 46: NOTE 3 [file unknown]: 46: You are using constraints on all bonds, whereas the forcefield has been 46: parametrized only with constraints involving hydrogen atoms. We suggest 46: using constraints = h-bonds instead, this will also improve performance. 46: 46: 46: NOTE 4 [file unknown]: 46: For accurate cg with LINCS constraints, lincs-order should be 8 or more. 46: 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Removed 18 Angles with virtual sites, 21 left 46: Removed 10 Proper Dih.s with virtual sites, 44 left 46: Converted 15 Constraints with virtual sites to connections, 7 left 46: Number of degrees of freedom in T-Coupling group System is 23.00 46: 46: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 5 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Polak-Ribiere Conjugate Gradients: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: F-max = 1.06799e+03 on atom 28 46: F-Norm = 4.26916e+02 46: 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = -1.6941095e+02 46: Maximum force = 2.1833020e+02 on atom 17 46: Norm of force = 7.9215281e+01 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 turning all bonds into constraints... 46: This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (269 ms) 46: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (3119 ms total) 46: 46: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest 46: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: There were 2 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Steepest Descents: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: 46: writing lowest energy coordinates. 46: 46: Steepest Descents converged to Fmax < 10 in 1 steps 46: Potential Energy = -9.7425687e-01 46: Maximum force = 4.0132279e+00 on atom 1 46: Norm of force = 1.6383933e+00 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (56 ms) 46: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: There were 2 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Polak-Ribiere Conjugate Gradients: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: F-max = 4.01323e+00 on atom 1 46: F-Norm = 1.63839e+00 46: 46: 46: writing lowest energy coordinates. 46: 46: Polak-Ribiere Conjugate Gradients converged to Fmax < 10 in 0 steps 46: Potential Energy = -9.9064195e-01 46: Maximum force = 2.5781672e+00 on atom 1 46: Norm of force = 1.0525324e+00 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Last energy frame read 1 time 0.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (21 ms) 46: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: 46: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 46: For efficient BFGS minimization, use switch/shift/pme instead of cut-off. 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: There were 2 notes 46: 46: There was 1 warning 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: 46: L-BFGS minimization only supports a single rank. Choosing to use only a single thread-MPI rank. 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Low-Memory BFGS Minimizer: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: Using 10 BFGS correction steps. 46: 46: F-max = 4.01323e+00 on atom 1 46: F-Norm = 1.63839e+00 46: 46: 46: writing lowest energy coordinates. 46: 46: Low-Memory BFGS Minimizer converged to Fmax < 10 in 0 steps 46: Potential Energy = -9.9064195e-01 46: Maximum force = 2.5781672e+00 on atom 1 46: Norm of force = 1.0525324e+00 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Last energy frame read 1 time 0.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (86 ms) 46: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 20503 of the 20503 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 1 46: Generated 17396 of the 20503 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Glycine' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Steepest Descents: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Steepest Descents did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = 3.1939700e+02 46: Maximum force = 9.9704248e+03 on atom 9 46: Norm of force = 4.6227540e+03 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Reading energy frame 3 time 3.000 Reading energy frame 4 time 4.000 Last energy frame read 4 time 4.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (862 ms) 46: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 20503 of the 20503 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 1 46: Generated 17396 of the 20503 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Glycine' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Polak-Ribiere Conjugate Gradients: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: F-max = 2.41672e+04 on atom 10 46: F-Norm = 1.19357e+04 46: 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = 1.5625763e+02 46: Maximum force = 7.5018252e+03 on atom 9 46: Norm of force = 3.6139025e+03 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (419 ms) 46: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: 46: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: For efficient BFGS minimization, use switch/shift/pme instead of cut-off. 46: 46: Generated 20503 of the 20503 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 1 46: Generated 17396 of the 20503 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Glycine' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: 46: There was 1 warning 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: 46: L-BFGS minimization only supports a single rank. Choosing to use only a single thread-MPI rank. 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Low-Memory BFGS Minimizer: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: Using 10 BFGS correction steps. 46: 46: F-max = 2.41672e+04 on atom 10 46: F-Norm = 1.19357e+04 46: 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Low-Memory BFGS Minimizer did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = 5.6111725e+02 46: Maximum force = 1.2685491e+04 on atom 10 46: Norm of force = 6.0643622e+03 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (167 ms) 46: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (1612 ms total) 46: 46: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_input.mdp]: 46: NVE simulation: will use the initial temperature of 68.810 K for 46: determining the Verlet buffer size 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Argon' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 46: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.179 0.090 199.8 46: (ns/day) (hour/ns) 46: Performance: 16.363 1.467 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Argon', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim1.trr' 46: 46: trr version: GMX_trn_file (single precision) 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 17 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 192.2 46: (ns/day) (hour/ns) 46: Performance: 1675.896 0.014 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0 (133 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_input.mdp]: 46: NVE simulation: will use the initial temperature of 68.810 K for 46: determining the Verlet buffer size 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Argon' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 46: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.024 0.012 199.0 46: (ns/day) (hour/ns) 46: Performance: 121.468 0.198 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Argon', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.010 0.005 198.8 46: (ns/day) (hour/ns) 46: Performance: 298.898 0.080 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1 (28 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: There were 2 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Argon' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 46: Calculated rlist for 1x1 atom pair-list as 0.708 nm, buffer size 0.008 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.708 nm, buffer size 0.008 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.007 0.003 194.9 46: (ns/day) (hour/ns) 46: Performance: 430.209 0.056 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Argon', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 14 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 192.9 46: (ns/day) (hour/ns) 46: Performance: 1669.538 0.014 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2 (20 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: There were 2 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Argon' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 46: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.016 0.008 198.5 46: (ns/day) (hour/ns) 46: Performance: 182.325 0.132 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Argon', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 17 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.001 0.001 192.6 46: (ns/day) (hour/ns) 46: Performance: 2692.567 0.009 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 (58 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_input.mdp]: 46: NVE simulation: will use the initial temperature of 398.997 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'spc2' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 46: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.008 0.004 196.3 46: (ns/day) (hour/ns) 46: Performance: 356.351 0.067 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'spc2', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 15 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 193.9 46: (ns/day) (hour/ns) 46: Performance: 1527.546 0.016 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 (1147 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_input.mdp]: 46: NVE simulation: will use the initial temperature of 398.997 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'spc2' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 46: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.011 0.006 198.5 46: (ns/day) (hour/ns) 46: Performance: 262.443 0.091 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'spc2', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 12 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 194.1 46: (ns/day) (hour/ns) 46: Performance: 1333.173 0.018 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 (858 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 100, rlist from 0.733 to 0.824 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'spc2' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.735 nm, buffer size 0.035 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.733 nm, buffer size 0.033 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.601 0.300 199.9 46: (ns/day) (hour/ns) 46: Performance: 4.888 4.910 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 100, rlist from 0.733 to 0.824 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'spc2', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 19 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 194.8 46: (ns/day) (hour/ns) 46: Performance: 1813.006 0.013 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 (986 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'spc2' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.010 0.005 196.1 46: (ns/day) (hour/ns) 46: Performance: 296.639 0.081 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'spc2', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.073 0.037 199.7 46: (ns/day) (hour/ns) 46: Performance: 39.959 0.601 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 (794 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2145 of the 2145 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2145 of the 2145 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 46: 46: NOTE 3 [file unknown]: 46: You are using constraints on all bonds, whereas the forcefield has been 46: parametrized only with constraints involving hydrogen atoms. We suggest 46: using constraints = h-bonds instead, this will also improve performance. 46: 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Removed 18 Angles with virtual sites, 21 left 46: Removed 10 Proper Dih.s with virtual sites, 44 left 46: Converted 15 Constraints with virtual sites to connections, 7 left 46: Number of degrees of freedom in T-Coupling group System is 23.00 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]: 46: NVE simulation: will use the initial temperature of 456.887 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]: 46: There are 9 non-linear virtual site constructions. Their contribution to 46: the energy error is approximated. In most cases this does not affect the 46: error significantly. 46: 46: 46: NOTE 6 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 6 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Alanine dipeptide in vacuo' 46: 16 steps, 0.0 ps. 46: turning all bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 456.887 K 46: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.012 0.006 197.3 46: (ns/day) (hour/ns) 46: Performance: 250.930 0.096 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Alanine dipeptide in vacuo', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 13 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 194.9 46: (ns/day) (hour/ns) 46: Performance: 1168.550 0.021 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 (330 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2145 of the 2145 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2145 of the 2145 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 46: 46: NOTE 3 [file unknown]: 46: You are using constraints on all bonds, whereas the forcefield has been 46: parametrized only with constraints involving hydrogen atoms. We suggest 46: using constraints = h-bonds instead, this will also improve performance. 46: 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Removed 18 Angles with virtual sites, 21 left 46: Removed 10 Proper Dih.s with virtual sites, 44 left 46: Converted 15 Constraints with virtual sites to connections, 7 left 46: Number of degrees of freedom in T-Coupling group System is 23.00 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]: 46: NVE simulation: will use the initial temperature of 456.887 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]: 46: There are 9 non-linear virtual site constructions. Their contribution to 46: the energy error is approximated. In most cases this does not affect the 46: error significantly. 46: 46: 46: NOTE 6 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 6 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Alanine dipeptide in vacuo' 46: 16 steps, 0.0 ps. 46: turning all bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 456.887 K 46: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.010 0.005 196.8 46: (ns/day) (hour/ns) 46: Performance: 288.809 0.083 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Alanine dipeptide in vacuo', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.014 0.007 199.1 46: (ns/day) (hour/ns) 46: Performance: 203.394 0.118 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9 (95 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2145 of the 2145 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2145 of the 2145 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 46: 46: NOTE 3 [file unknown]: 46: You are using constraints on all bonds, whereas the forcefield has been 46: parametrized only with constraints involving hydrogen atoms. We suggest 46: using constraints = h-bonds instead, this will also improve performance. 46: 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Removed 18 Angles with virtual sites, 21 left 46: Removed 10 Proper Dih.s with virtual sites, 44 left 46: Converted 15 Constraints with virtual sites to connections, 7 left 46: Number of degrees of freedom in T-Coupling group System is 23.00 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_input.mdp]: 46: There are 9 non-linear virtual site constructions. Their contribution to 46: the energy error is approximated. In most cases this does not affect the 46: error significantly. 46: 46: 46: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 5 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 100, rlist from 0.744 to 0.868 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Alanine dipeptide in vacuo' 46: 16 steps, 0.0 ps. 46: turning all bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.748 nm, buffer size 0.048 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.744 nm, buffer size 0.044 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.012 0.006 196.5 46: (ns/day) (hour/ns) 46: Performance: 249.730 0.096 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 100, rlist from 0.744 to 0.868 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Alanine dipeptide in vacuo', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 195.0 46: (ns/day) (hour/ns) 46: Performance: 779.625 0.031 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10 (270 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2145 of the 2145 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2145 of the 2145 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 46: 46: NOTE 3 [file unknown]: 46: You are using constraints on all bonds, whereas the forcefield has been 46: parametrized only with constraints involving hydrogen atoms. We suggest 46: using constraints = h-bonds instead, this will also improve performance. 46: 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Removed 18 Angles with virtual sites, 21 left 46: Removed 10 Proper Dih.s with virtual sites, 44 left 46: Converted 15 Constraints with virtual sites to connections, 7 left 46: Number of degrees of freedom in T-Coupling group System is 23.00 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_input.mdp]: 46: There are 9 non-linear virtual site constructions. Their contribution to 46: the energy error is approximated. In most cases this does not affect the 46: error significantly. 46: 46: 46: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 5 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 40, rlist from 0.726 to 0.869 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Alanine dipeptide in vacuo' 46: 16 steps, 0.0 ps. 46: turning all bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.729 nm, buffer size 0.029 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.726 nm, buffer size 0.026 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.011 0.006 196.9 46: (ns/day) (hour/ns) 46: Performance: 252.950 0.095 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 40, rlist from 0.726 to 0.869 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Alanine dipeptide in vacuo', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 14 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 194.9 46: (ns/day) (hour/ns) 46: Performance: 1292.613 0.019 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11 (56 ms) 46: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest (4775 ms total) 46: 46: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.011 0.006 192.9 46: (ns/day) (hour/ns) 46: Performance: 265.772 0.090 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 13 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 186.1 46: (ns/day) (hour/ns) 46: Performance: 946.328 0.025 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0 (163 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.082 0.042 197.5 46: (ns/day) (hour/ns) 46: Performance: 35.237 0.681 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 187.0 46: (ns/day) (hour/ns) 46: Performance: 771.135 0.031 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1 (586 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.012 0.007 189.8 46: (ns/day) (hour/ns) 46: Performance: 225.399 0.106 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.032 0.016 197.0 46: (ns/day) (hour/ns) 46: Performance: 90.362 0.266 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 (71 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.020 0.010 196.2 46: (ns/day) (hour/ns) 46: Performance: 147.397 0.163 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.005 0.002 188.9 46: (ns/day) (hour/ns) 46: Performance: 598.174 0.040 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3 (73 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.036 0.018 198.0 46: (ns/day) (hour/ns) 46: Performance: 80.748 0.297 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.006 0.003 189.3 46: (ns/day) (hour/ns) 46: Performance: 474.111 0.051 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4 (83 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.154 0.077 199.6 46: (ns/day) (hour/ns) 46: Performance: 19.102 1.256 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.054 0.027 198.5 46: (ns/day) (hour/ns) 46: Performance: 54.176 0.443 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5 (151 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.467 0.234 199.9 46: (ns/day) (hour/ns) 46: Performance: 6.290 3.816 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.016 0.008 195.5 46: (ns/day) (hour/ns) 46: Performance: 183.079 0.131 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6 (274 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.054 0.027 198.9 46: (ns/day) (hour/ns) 46: Performance: 54.581 0.440 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 13 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 183.4 46: (ns/day) (hour/ns) 46: Performance: 799.350 0.030 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7 (115 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.017 0.009 197.0 46: (ns/day) (hour/ns) 46: Performance: 169.066 0.142 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 188.0 46: (ns/day) (hour/ns) 46: Performance: 802.474 0.030 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8 (151 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.021 0.010 197.1 46: (ns/day) (hour/ns) 46: Performance: 140.563 0.171 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.066 0.033 199.2 46: (ns/day) (hour/ns) 46: Performance: 44.231 0.543 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9 (177 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.011 0.006 195.6 46: (ns/day) (hour/ns) 46: Performance: 253.700 0.095 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 12 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 183.8 46: (ns/day) (hour/ns) 46: Performance: 880.211 0.027 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10 (45 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.031 0.015 199.3 46: (ns/day) (hour/ns) 46: Performance: 95.249 0.252 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 15 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 185.2 46: (ns/day) (hour/ns) 46: Performance: 1168.550 0.021 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11 (178 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.013 0.006 198.7 46: (ns/day) (hour/ns) 46: Performance: 226.784 0.106 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 187.9 46: (ns/day) (hour/ns) 46: Performance: 949.537 0.025 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12 (50 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.031 0.015 199.5 46: (ns/day) (hour/ns) 46: Performance: 95.739 0.251 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 188.7 46: (ns/day) (hour/ns) 46: Performance: 1052.553 0.023 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13 (70 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.014 0.007 198.3 46: (ns/day) (hour/ns) 46: Performance: 213.103 0.113 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.200 0.100 199.7 46: (ns/day) (hour/ns) 46: Performance: 14.640 1.639 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14 (161 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.023 0.012 199.0 46: (ns/day) (hour/ns) 46: Performance: 127.580 0.188 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 10 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 175.8 46: (ns/day) (hour/ns) 46: Performance: 671.016 0.036 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 (45 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.450 0.225 199.9 46: (ns/day) (hour/ns) 46: Performance: 6.519 3.681 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.014 0.007 195.7 46: (ns/day) (hour/ns) 46: Performance: 205.339 0.117 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16 (266 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.017 0.008 198.7 46: (ns/day) (hour/ns) 46: Performance: 174.982 0.137 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 10 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 188.8 46: (ns/day) (hour/ns) 46: Performance: 708.848 0.034 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17 (222 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.089 0.045 199.7 46: (ns/day) (hour/ns) 46: Performance: 32.939 0.729 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.005 0.003 190.9 46: (ns/day) (hour/ns) 46: Performance: 546.879 0.044 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18 (106 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.061 0.030 199.7 46: (ns/day) (hour/ns) 46: Performance: 48.256 0.497 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.005 0.003 169.4 46: (ns/day) (hour/ns) 46: Performance: 545.523 0.044 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19 (94 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.021 0.011 199.2 46: (ns/day) (hour/ns) 46: Performance: 137.400 0.175 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 176.4 46: (ns/day) (hour/ns) 46: Performance: 828.482 0.029 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20 (66 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.052 0.026 199.5 46: (ns/day) (hour/ns) 46: Performance: 56.107 0.428 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.072 0.036 199.3 46: (ns/day) (hour/ns) 46: Performance: 40.874 0.587 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21 (134 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.068 0.034 199.2 46: (ns/day) (hour/ns) 46: Performance: 43.084 0.557 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.172 0.088 195.3 46: (ns/day) (hour/ns) 46: Performance: 16.712 1.436 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22 (299 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.083 0.042 199.1 46: (ns/day) (hour/ns) 46: Performance: 35.185 0.682 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.005 0.003 189.6 46: (ns/day) (hour/ns) 46: Performance: 573.238 0.042 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23 (113 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.017 0.008 196.9 46: (ns/day) (hour/ns) 46: Performance: 173.357 0.138 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.079 0.040 199.4 46: (ns/day) (hour/ns) 46: Performance: 37.048 0.648 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24 (122 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.068 0.034 199.3 46: (ns/day) (hour/ns) 46: Performance: 43.135 0.556 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 188.1 46: (ns/day) (hour/ns) 46: Performance: 729.755 0.033 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25 (104 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.700 0.350 199.9 46: (ns/day) (hour/ns) 46: Performance: 4.194 5.723 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 13 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 188.6 46: (ns/day) (hour/ns) 46: Performance: 876.329 0.027 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26 (492 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 1.417 0.709 199.9 46: (ns/day) (hour/ns) 46: Performance: 2.072 11.583 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 10 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 185.2 46: (ns/day) (hour/ns) 46: Performance: 642.331 0.037 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27 (865 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.457 0.229 199.8 46: (ns/day) (hour/ns) 46: Performance: 6.427 3.735 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.036 0.018 196.5 46: (ns/day) (hour/ns) 46: Performance: 79.548 0.302 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 (316 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.012 0.006 195.4 46: (ns/day) (hour/ns) 46: Performance: 241.299 0.099 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.053 0.045 116.2 46: (ns/day) (hour/ns) 46: Performance: 32.330 0.742 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29 (92 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.053 0.026 198.9 46: (ns/day) (hour/ns) 46: Performance: 55.532 0.432 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 13 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 185.4 46: (ns/day) (hour/ns) 46: Performance: 1252.662 0.019 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 (402 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.011 0.005 196.6 46: (ns/day) (hour/ns) 46: Performance: 270.819 0.089 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.401 0.201 199.8 46: (ns/day) (hour/ns) 46: Performance: 7.314 3.281 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31 (263 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.057 0.028 198.8 46: (ns/day) (hour/ns) 46: Performance: 51.545 0.466 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 46: Changing nstlist from 8 to 25, rlist from 0.749 to 0.88 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 13 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 179.5 46: (ns/day) (hour/ns) 46: Performance: 732.619 0.033 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim2.edr as single precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim1.edr as single precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32 (92 ms) 46: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest (6443 ms total) 46: 46: [----------] Global test environment tear-down 46: [==========] 58 tests from 5 test cases ran. (15986 ms total) 46: [ PASSED ] 58 tests. 46/54 Test #46: MdrunNonIntegratorTests ............. Passed 16.05 sec test 47 Start 47: MdrunTpiTests 47: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/mdrun-tpi-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MdrunTpiTests.xml" 47: Test timeout computed to be: 600 47: [==========] Running 2 tests from 1 test case. 47: [----------] Global test environment set-up. 47: [----------] 2 tests from Simple/TpiTest 47: [ RUN ] Simple/TpiTest.ReproducesOutput/0 47: Ignoring obsolete mdp entry 'ns_type' 47: Generated 331705 of the 331705 non-bonded parameter combinations 47: Generating 1-4 interactions: fudge = 0.5 47: Generated 331705 of the 331705 1-4 parameter combinations 47: Excluding 2 bonded neighbours molecule type 'SOL' 47: Excluding 3 bonded neighbours molecule type 'methane' 47: Number of degrees of freedom in T-Coupling group System is 1308.00 47: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 47: log). 47: The current CPU can measure timings more accurately than the code in 47: mdrun-tpi-test was configured to use. This might affect your simulation 47: speed as accurate timings are needed for load-balancing. 47: Please consider rebuilding mdrun-tpi-test with the GMX_USE_RDTSCP=ON CMake option. 47: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Simple_TpiTest_ReproducesOutput_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 47: 47: TPI is not implemented for GPUs. 47: 47: Using 1 MPI thread 47: 47: Non-default thread affinity set, disabling internal thread affinity 47: 47: Using 1 OpenMP thread 47: 47: Reading frames from gro file '216 water molecules', 648 atoms. 47: Reading frame 0 time 0.000 mu 8.706e+02 8.706e+02 47: Last frame 0 time 0.000 47: Analysing residue names: 47: There are: 216 Water residues 47: There are: 1 Other residues 47: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups... 47: This run will generate roughly 0 Mb of data 47: [ OK ] Simple/TpiTest.ReproducesOutput/0 (1045 ms) 47: [ RUN ] Simple/TpiTest.ReproducesOutput/1 47: Ignoring obsolete mdp entry 'ns_type' 47: Generated 331705 of the 331705 non-bonded parameter combinations 47: Generating 1-4 interactions: fudge = 0.5 47: Generated 331705 of the 331705 1-4 parameter combinations 47: Excluding 2 bonded neighbours molecule type 'SOL' 47: Excluding 3 bonded neighbours molecule type 'methane' 47: Number of degrees of freedom in T-Coupling group System is 1308.00 47: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 47: log). 47: The current CPU can measure timings more accurately than the code in 47: mdrun-tpi-test was configured to use. This might affect your simulation 47: speed as accurate timings are needed for load-balancing. 47: Please consider rebuilding mdrun-tpi-test with the GMX_USE_RDTSCP=ON CMake option. 47: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/Simple_TpiTest_ReproducesOutput_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 47: 47: TPI is not implemented for GPUs. 47: 47: Using 1 MPI thread 47: 47: Non-default thread affinity set, disabling internal thread affinity 47: 47: Using 1 OpenMP thread 47: 47: Reading frames from gro file '216 water molecules', 648 atoms. 47: Reading frame 0 time 0.000 mu 9.144e+01 9.144e+01 47: Last frame 0 time 0.000 47: Analysing residue names: 47: There are: 216 Water residues 47: There are: 1 Other residues 47: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups... 47: This run will generate roughly 0 Mb of data 47: [ OK ] Simple/TpiTest.ReproducesOutput/1 (706 ms) 47: [----------] 2 tests from Simple/TpiTest (1751 ms total) 47: 47: [----------] Global test environment tear-down 47: [==========] 2 tests from 1 test case ran. (1751 ms total) 47: [ PASSED ] 2 tests. 47/54 Test #47: MdrunTpiTests ....................... Passed 1.77 sec test 48 Start 48: MdrunMpiTests 48: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/mdrun-mpi-test "-ntomp" "2" "-ntmpi" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MdrunMpiTests.xml" 48: Test timeout computed to be: 600 48: [==========] Running 22 tests from 7 test cases. 48: [----------] Global test environment set-up. 48: [----------] 1 test from DomainDecompositionSpecialCasesTest 48: [ RUN ] DomainDecompositionSpecialCasesTest.AnEmptyDomainWorks 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DomainDecompositionSpecialCasesTest_AnEmptyDomainWorks_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to -679610403 48: Generated 3 of the 3 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 3 of the 3 1-4 parameter combinations 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group rest is 9.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DomainDecompositionSpecialCasesTest_AnEmptyDomainWorks_input.mdp]: 48: NVE simulation with an initial temperature of zero: will use a Verlet 48: buffer of 10%. Check your energy drift! 48: 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DomainDecompositionSpecialCasesTest_AnEmptyDomainWorks_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/DomainDecompositionSpecialCasesTest_AnEmptyDomainWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting mdrun 'spc2' 48: 0 steps, 0.0 ps. 48: 48: NOTE: 23 % of the run time was spent in domain decomposition, 48: 13 % of the run time was spent in pair search, 48: you might want to increase nstlist (this has no effect on accuracy) 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.001 0.000 274.1 48: (ns/day) (hour/ns) 48: Performance: 208.090 0.115 48: This run will generate roughly 0 Mb of data 48: [ OK ] DomainDecompositionSpecialCasesTest.AnEmptyDomainWorks (491 ms) 48: [----------] 1 test from DomainDecompositionSpecialCasesTest (491 ms total) 48: 48: [----------] 4 tests from MimicTest 48: [ RUN ] MimicTest.OneQuantumMol 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to 2088729007 48: Generated 10 of the 10 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 10 of the 10 1-4 parameter combinations 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group rest is 21.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol_input.mdp]: 48: NVE simulation with an initial temperature of zero: will use a Verlet 48: buffer of 10%. Check your energy drift! 48: 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting md rerun 'Generated by gmx solvate', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/4water.gro' 48: 48: Reading frames from gro file 'Generated by gmx solvate', 12 atoms. 48: Reading frame 0 time 0.000 Last frame 0 time 0.000 48: 48: NOTE: 13 % of the run time was spent in domain decomposition, 48: 10 % of the run time was spent in pair search, 48: you might want to increase nstlist (this has no effect on accuracy) 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.002 0.000 382.7 48: (ns/day) (hour/ns) 48: Performance: 204.971 0.117 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 48: [ OK ] MimicTest.OneQuantumMol (11 ms) 48: [ RUN ] MimicTest.AllQuantumMol 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to -271975385 48: Generated 10 of the 10 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 10 of the 10 1-4 parameter combinations 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group rest is 21.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]: 48: NVE simulation with an initial temperature of zero: will use a Verlet 48: buffer of 10%. Check your energy drift! 48: 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting md rerun 'Generated by gmx solvate', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/4water.gro' 48: 48: Reading frames from gro file 'Generated by gmx solvate', 12 atoms. 48: Reading frame 0 time 0.000 Last frame 0 time 0.000 48: 48: NOTE: 12 % of the run time was spent in domain decomposition, 48: 12 % of the run time was spent in pair search, 48: you might want to increase nstlist (this has no effect on accuracy) 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.002 0.001 386.2 48: (ns/day) (hour/ns) 48: Performance: 142.448 0.168 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 48: [ OK ] MimicTest.AllQuantumMol (8 ms) 48: [ RUN ] MimicTest.TwoQuantumMol 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to -337710682 48: Generated 10 of the 10 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 10 of the 10 1-4 parameter combinations 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group rest is 21.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]: 48: NVE simulation with an initial temperature of zero: will use a Verlet 48: buffer of 10%. Check your energy drift! 48: 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting md rerun 'Generated by gmx solvate', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/4water.gro' 48: 48: Reading frames from gro file 'Generated by gmx solvate', 12 atoms. 48: Reading frame 0 time 0.000 Last frame 0 time 0.000 48: 48: NOTE: 15 % of the run time was spent in domain decomposition, 48: 14 % of the run time was spent in pair search, 48: you might want to increase nstlist (this has no effect on accuracy) 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.001 0.000 381.7 48: (ns/day) (hour/ns) 48: Performance: 240.390 0.100 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 48: [ OK ] MimicTest.TwoQuantumMol (8 ms) 48: [ RUN ] MimicTest.BondCuts 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to -29565851 48: Generated 2211 of the 2211 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 2211 of the 2211 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Protein_chain_A' 48: Number of degrees of freedom in T-Coupling group rest is 66.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]: 48: NVE simulation: will use the initial temperature of 300.368 K for 48: determining the Verlet buffer size 48: 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting md rerun 'UNNAMED in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/ala.gro' 48: 48: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms. 48: Reading frame 0 time 0.000 Last frame 0 time 0.000 48: 48: NOTE: 17 % of the run time was spent in domain decomposition, 48: 11 % of the run time was spent in pair search, 48: you might want to increase nstlist (this has no effect on accuracy) 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.002 0.001 384.4 48: (ns/day) (hour/ns) 48: Performance: 145.013 0.166 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300.368 K 48: Calculated rlist for 1x1 atom pair-list as 1.034 nm, buffer size 0.034 nm 48: Set rlist, assuming 4x4 atom pair-list, to 1.025 nm, buffer size 0.025 nm 48: Note that mdrun will redetermine rlist based on the actual pair-list setup 48: This run will generate roughly 0 Mb of data 48: [ OK ] MimicTest.BondCuts (176 ms) 48: [----------] 4 tests from MimicTest (203 ms total) 48: 48: [----------] 1 test from MultiSimTerminationTest 48: [ RUN ] MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts 48: [ OK ] MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (0 ms) 48: [----------] 1 test from MultiSimTerminationTest (0 ms total) 48: 48: [----------] 3 tests from PmeTest 48: [ RUN ] PmeTest.ReproducesEnergies 48: Setting the LD random seed to -538051733 48: Generated 8 of the 10 non-bonded parameter combinations 48: Excluding 2 bonded neighbours molecule type 'Methanol' 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group rest is 12.00 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_input.mdp]: 48: NVE simulation: will use the initial temperature of 1046.791 K for 48: determining the Verlet buffer size 48: 48: Estimate for the relative computational load of the PME mesh part: 1.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_input.mdp]: 48: The optimal PME mesh load for parallel simulations is below 0.5 48: and for highly parallel simulations between 0.25 and 0.33, 48: for higher performance, increase the cut-off and the PME grid spacing. 48: 48: 48: 48: There were 2 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: Using 0 OpenMP thread per tMPI thread for PME 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting mdrun 'spc-and-methanol' 48: 20 steps, 0.0 ps. 48: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 48: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 48: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 48: Note that mdrun will redetermine rlist based on the actual pair-list setup 48: Calculating fourier grid dimensions for X Y Z 48: Using a fourier grid of 28x28x28, spacing 0.108 0.108 0.108 48: This run will generate roughly 0 Mb of data 48: 48: Writing final coordinates. 48: 48: Core t (s) Wall t (s) (%) 48: Time: 1.182 0.296 399.9 48: (ns/day) (hour/ns) 48: Performance: 6.138 3.910 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeAuto.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 Reading energy frame 2 time 0.002 Reading energy frame 3 time 0.003 Reading energy frame 4 time 0.004 Reading energy frame 5 time 0.005 Reading energy frame 6 time 0.006 Reading energy frame 7 time 0.007 Reading energy frame 8 time 0.008 Reading energy frame 9 time 0.009 Reading energy frame 10 time 0.010 Reading energy frame 11 time 0.011 Reading energy frame 12 time 0.012 Reading energy frame 13 time 0.013 Reading energy frame 14 time 0.014 Reading energy frame 15 time 0.015 Reading energy frame 16 time 0.016 Reading energy frame 17 time 0.017 Reading energy frame 18 time 0.018 Reading energy frame 19 time 0.019 Reading energy frame 20 time 0.020 Last energy frame read 20 time 0.020 Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: Using 0 OpenMP thread per tMPI thread for PME 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting mdrun 'spc-and-methanol' 48: 20 steps, 0.0 ps. 48: 48: Writing final coordinates. 48: 48: Core t (s) Wall t (s) (%) 48: Time: 2.479 0.620 399.9 48: (ns/day) (hour/ns) 48: Performance: 2.927 8.200 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpu.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 Reading energy frame 2 time 0.002 Reading energy frame 3 time 0.003 Reading energy frame 4 time 0.004 Reading energy frame 5 time 0.005 Reading energy frame 6 time 0.006 Reading energy frame 7 time 0.007 Reading energy frame 8 time 0.008 Reading energy frame 9 time 0.009 Reading energy frame 10 time 0.010 Reading energy frame 11 time 0.011 Reading energy frame 12 time 0.012 Reading energy frame 13 time 0.013 Reading energy frame 14 time 0.014 Reading energy frame 15 time 0.015 Reading energy frame 16 time 0.016 Reading energy frame 17 time 0.017 Reading energy frame 18 time 0.018 Reading energy frame 19 time 0.019 Reading energy frame 20 time 0.020 Last energy frame read 20 time 0.020 Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: Using 0 OpenMP thread per tMPI thread for PME 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting mdrun 'spc-and-methanol' 48: 20 steps, 0.0 ps. 48: 48: Writing final coordinates. 48: 48: Core t (s) Wall t (s) (%) 48: Time: 1.979 0.495 399.9 48: (ns/day) (hour/ns) 48: Performance: 3.666 6.546 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpuTune.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 Reading energy frame 2 time 0.002 Reading energy frame 3 time 0.003 Reading energy frame 4 time 0.004 Reading energy frame 5 time 0.005 Reading energy frame 6 time 0.006 Reading energy frame 7 time 0.007 Reading energy frame 8 time 0.008 Reading energy frame 9 time 0.009 Reading energy frame 10 time 0.010 Reading energy frame 11 time 0.011 Reading energy frame 12 time 0.012 Reading energy frame 13 time 0.013 Reading energy frame 14 time 0.014 Reading energy frame 15 time 0.015 Reading energy frame 16 time 0.016 Reading energy frame 17 time 0.017 Reading energy frame 18 time 0.018 Reading energy frame 19 time 0.019 Reading energy frame 20 time 0.020 Last energy frame read 20 time 0.020 [ OK ] PmeTest.ReproducesEnergies (2041 ms) 48: [ RUN ] PmeTest.ScalesTheBox 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to -269811718 48: Generated 8 of the 10 non-bonded parameter combinations 48: Excluding 2 bonded neighbours molecule type 'Methanol' 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group rest is 12.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]: 48: NVE simulation: will use the initial temperature of 1046.791 K for 48: determining the Verlet buffer size 48: 48: Estimate for the relative computational load of the PME mesh part: 1.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]: 48: The optimal PME mesh load for parallel simulations is below 0.5 48: and for highly parallel simulations between 0.25 and 0.33, 48: for higher performance, increase the cut-off and the PME grid spacing. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: Using 0 OpenMP thread per tMPI thread for PME 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting mdrun 'spc-and-methanol' 48: 0 steps, 0.0 ps. 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.003 0.001 363.2 48: (ns/day) (hour/ns) 48: Performance: 94.188 0.255 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_spc-and-methanol_PmeOnCpu.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 48: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 48: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 48: Note that mdrun will redetermine rlist based on the actual pair-list setup 48: Calculating fourier grid dimensions for X Y Z 48: Using a fourier grid of 28x28x28, spacing 0.108 0.108 0.108 48: This run will generate roughly 0 Mb of data 48: [ OK ] PmeTest.ScalesTheBox (170 ms) 48: [ RUN ] PmeTest.ScalesTheBoxWithWalls 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to -1143603273 48: Generated 8 of the 10 non-bonded parameter combinations 48: Excluding 2 bonded neighbours molecule type 'Methanol' 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Searching the wall atom type(s) 48: Number of degrees of freedom in T-Coupling group rest is 13.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]: 48: NVE simulation: will use the initial temperature of 966.268 K for 48: determining the Verlet buffer size 48: 48: Estimate for the relative computational load of the PME mesh part: 1.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]: 48: The optimal PME mesh load for parallel simulations is below 0.5 48: and for highly parallel simulations between 0.25 and 0.33, 48: for higher performance, increase the cut-off and the PME grid spacing. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: Using 0 OpenMP thread per tMPI thread for PME 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting mdrun 'spc-and-methanol' 48: 0 steps, 0.0 ps. 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.302 0.076 399.1 48: (ns/day) (hour/ns) 48: Performance: 1.143 21.001 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_spc-and-methanol_PmeOnCpu.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 966.268 K 48: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 48: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 48: Note that mdrun will redetermine rlist based on the actual pair-list setup 48: Calculating fourier grid dimensions for X Y Z 48: Using a fourier grid of 28x28x128, spacing 0.108 0.108 0.118 48: This run will generate roughly 0 Mb of data 48: [ OK ] PmeTest.ScalesTheBoxWithWalls (1692 ms) 48: [----------] 3 tests from PmeTest (3903 ms total) 48: 48: [----------] 1 test from ReplicaExchangeTerminationTest 48: [ RUN ] ReplicaExchangeTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts 48: [ OK ] ReplicaExchangeTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (0 ms) 48: [----------] 1 test from ReplicaExchangeTerminationTest (0 ms total) 48: 48: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest 48: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 330891 of the 330891 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 330891 of the 330891 1-4 parameter combinations 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group System is 27.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Steepest Descents: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Steepest Descents did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = -4.7991047e+01 48: Maximum force = 1.8629773e+02 on atom 13 48: Norm of force = 8.7721978e+01 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Reading energy frame 3 time 3.000 Reading energy frame 4 time 4.000 Last energy frame read 4 time 4.000 This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (896 ms) 48: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 330891 of the 330891 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 330891 of the 330891 1-4 parameter combinations 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group System is 27.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Polak-Ribiere Conjugate Gradients: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: F-max = 3.02331e+02 on atom 3 48: F-Norm = 1.18024e+02 48: 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = -5.5862068e+01 48: Maximum force = 4.2727991e+02 on atom 13 48: Norm of force = 1.8453199e+02 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (1600 ms) 48: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 20503 of the 20503 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 1 48: Generated 17396 of the 20503 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Glycine' 48: Number of degrees of freedom in T-Coupling group System is 22.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Steepest Descents: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Steepest Descents did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = 3.1937708e+02 48: Maximum force = 9.9988643e+03 on atom 9 48: Norm of force = 4.6166990e+03 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Reading energy frame 3 time 3.000 Reading energy frame 4 time 4.000 Last energy frame read 4 time 4.000 turning H bonds into constraints... 48: This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (602 ms) 48: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 20503 of the 20503 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 1 48: Generated 17396 of the 20503 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Glycine' 48: 48: NOTE 3 [file glycine_vacuo.top, line 12]: 48: For accurate cg with LINCS constraints, lincs-order should be 8 or more. 48: 48: Number of degrees of freedom in T-Coupling group System is 22.00 48: 48: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 4 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Polak-Ribiere Conjugate Gradients: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: F-max = 2.41575e+04 on atom 10 48: F-Norm = 1.18451e+04 48: 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = 1.5174432e+02 48: Maximum force = 7.4208867e+03 on atom 9 48: Norm of force = 3.5692995e+03 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 turning H bonds into constraints... 48: This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (324 ms) 48: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 2145 of the 2145 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 2145 of the 2145 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 48: 48: NOTE 3 [file unknown]: 48: You are using constraints on all bonds, whereas the forcefield has been 48: parametrized only with constraints involving hydrogen atoms. We suggest 48: using constraints = h-bonds instead, this will also improve performance. 48: 48: Cleaning up constraints and constant bonded interactions with virtual sites 48: Removed 18 Angles with virtual sites, 21 left 48: Removed 10 Proper Dih.s with virtual sites, 44 left 48: Converted 15 Constraints with virtual sites to connections, 7 left 48: Number of degrees of freedom in T-Coupling group System is 23.00 48: 48: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 4 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Steepest Descents: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Steepest Descents did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = -1.5698462e+02 48: Maximum force = 4.5703430e+02 on atom 17 48: Norm of force = 1.8327606e+02 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 3.000 Last energy frame read 2 time 3.000 turning all bonds into constraints... 48: This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (34 ms) 48: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 2145 of the 2145 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 2145 of the 2145 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 48: 48: NOTE 3 [file unknown]: 48: You are using constraints on all bonds, whereas the forcefield has been 48: parametrized only with constraints involving hydrogen atoms. We suggest 48: using constraints = h-bonds instead, this will also improve performance. 48: 48: 48: NOTE 4 [file unknown]: 48: For accurate cg with LINCS constraints, lincs-order should be 8 or more. 48: 48: Cleaning up constraints and constant bonded interactions with virtual sites 48: Removed 18 Angles with virtual sites, 21 left 48: Removed 10 Proper Dih.s with virtual sites, 44 left 48: Converted 15 Constraints with virtual sites to connections, 7 left 48: Number of degrees of freedom in T-Coupling group System is 23.00 48: 48: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 5 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Polak-Ribiere Conjugate Gradients: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: F-max = 1.06799e+03 on atom 28 48: F-Norm = 4.26916e+02 48: 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = -1.6941095e+02 48: Maximum force = 2.1832568e+02 on atom 17 48: Norm of force = 7.9213569e+01 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 turning all bonds into constraints... 48: This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (74 ms) 48: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (3530 ms total) 48: 48: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest 48: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 1 of the 1 non-bonded parameter combinations 48: Excluding 1 bonded neighbours molecule type 'Argon' 48: Number of degrees of freedom in T-Coupling group System is 33.00 48: 48: There were 2 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Steepest Descents: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: 48: writing lowest energy coordinates. 48: 48: Steepest Descents converged to Fmax < 10 in 1 steps 48: Potential Energy = -9.7425687e-01 48: Maximum force = 4.0132279e+00 on atom 3 48: Norm of force = 1.6383933e+00 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (63 ms) 48: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 1 of the 1 non-bonded parameter combinations 48: Excluding 1 bonded neighbours molecule type 'Argon' 48: Number of degrees of freedom in T-Coupling group System is 33.00 48: 48: There were 2 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Polak-Ribiere Conjugate Gradients: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: F-max = 4.01323e+00 on atom 3 48: F-Norm = 1.63839e+00 48: 48: 48: writing lowest energy coordinates. 48: 48: Polak-Ribiere Conjugate Gradients converged to Fmax < 10 in 0 steps 48: Potential Energy = -9.9064195e-01 48: Maximum force = 2.5781672e+00 on atom 3 48: Norm of force = 1.0525324e+00 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Last energy frame read 1 time 0.000 This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (13 ms) 48: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: 48: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 48: For efficient BFGS minimization, use switch/shift/pme instead of cut-off. 48: 48: Generated 1 of the 1 non-bonded parameter combinations 48: Excluding 1 bonded neighbours molecule type 'Argon' 48: Number of degrees of freedom in T-Coupling group System is 33.00 48: 48: There were 2 notes 48: 48: There was 1 warning 48: This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (3 ms) 48: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 20503 of the 20503 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 1 48: Generated 17396 of the 20503 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Glycine' 48: Number of degrees of freedom in T-Coupling group System is 27.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Steepest Descents: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Steepest Descents did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = 3.1939685e+02 48: Maximum force = 9.9704248e+03 on atom 9 48: Norm of force = 4.6227568e+03 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Reading energy frame 3 time 3.000 Reading energy frame 4 time 4.000 Last energy frame read 4 time 4.000 This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (234 ms) 48: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 20503 of the 20503 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 1 48: Generated 17396 of the 20503 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Glycine' 48: Number of degrees of freedom in T-Coupling group System is 27.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Polak-Ribiere Conjugate Gradients: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: F-max = 2.41672e+04 on atom 10 48: F-Norm = 1.19357e+04 48: 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = 1.5625764e+02 48: Maximum force = 7.5018237e+03 on atom 9 48: Norm of force = 3.6139019e+03 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as single precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (755 ms) 48: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: 48: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: For efficient BFGS minimization, use switch/shift/pme instead of cut-off. 48: 48: Generated 20503 of the 20503 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 1 48: Generated 17396 of the 20503 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Glycine' 48: Number of degrees of freedom in T-Coupling group System is 27.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: 48: There was 1 warning 48: This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (242 ms) 48: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (1311 ms total) 48: 48: [----------] Global test environment tear-down 48: [==========] 22 tests from 7 test cases ran. (9438 ms total) 48: [ PASSED ] 22 tests. 48: 48: YOU HAVE 4 DISABLED TESTS 48: 48/54 Test #48: MdrunMpiTests ....................... Passed 9.50 sec test 49 Start 49: MdrunMpiCoordinationTestsOneRank 49: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/mdrun-mpi-coordination-test "-ntmpi" "1" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MdrunMpiCoordinationTestsOneRank.xml" 49: Test timeout computed to be: 960 49: [==========] Running 27 tests from 3 test cases. 49: [----------] Global test environment set-up. 49: [----------] 1 test from BasicPropagators/PeriodicActionsTest 49: [ RUN ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.5 49: (ns/day) (hour/ns) 49: Performance: 271.931 0.088 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.7 49: (ns/day) (hour/ns) 49: Performance: 300.078 0.080 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.011 0.011 99.2 49: (ns/day) (hour/ns) 49: Performance: 131.659 0.182 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.024 0.024 99.6 49: (ns/day) (hour/ns) 49: Performance: 61.058 0.393 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.9 49: (ns/day) (hour/ns) 49: Performance: 247.871 0.097 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.016 0.016 99.7 49: (ns/day) (hour/ns) 49: Performance: 93.289 0.257 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: [ OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (164 ms) 49: [----------] 1 test from BasicPropagators/PeriodicActionsTest (164 ms total) 49: 49: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.107 0.108 99.9 49: (ns/day) (hour/ns) 49: Performance: 13.657 1.757 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.9 49: (ns/day) (hour/ns) 49: Performance: 283.715 0.085 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.011 0.011 99.3 49: (ns/day) (hour/ns) 49: Performance: 133.286 0.180 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.5 49: (ns/day) (hour/ns) 49: Performance: 241.933 0.099 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.348 0.348 100.0 49: (ns/day) (hour/ns) 49: Performance: 4.218 5.691 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.019 0.019 99.5 49: (ns/day) (hour/ns) 49: Performance: 78.739 0.305 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (554 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.013 0.013 99.4 49: (ns/day) (hour/ns) 49: Performance: 115.742 0.207 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.3 49: (ns/day) (hour/ns) 49: Performance: 440.798 0.054 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.3 49: (ns/day) (hour/ns) 49: Performance: 559.241 0.043 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.9 49: (ns/day) (hour/ns) 49: Performance: 327.534 0.073 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.163 0.163 100.0 49: (ns/day) (hour/ns) 49: Performance: 9.022 2.660 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.6 49: (ns/day) (hour/ns) 49: Performance: 229.359 0.105 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (233 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.6 49: (ns/day) (hour/ns) 49: Performance: 280.652 0.086 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.195 0.195 100.0 49: (ns/day) (hour/ns) 49: Performance: 7.526 3.189 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.2 49: (ns/day) (hour/ns) 49: Performance: 354.077 0.068 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.029 0.029 99.8 49: (ns/day) (hour/ns) 49: Performance: 50.431 0.476 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.005 98.0 49: (ns/day) (hour/ns) 49: Performance: 326.061 0.074 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.336 0.336 100.0 49: (ns/day) (hour/ns) 49: Performance: 4.375 5.485 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (636 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.4 49: (ns/day) (hour/ns) 49: Performance: 336.405 0.071 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.011 0.011 99.5 49: (ns/day) (hour/ns) 49: Performance: 136.526 0.176 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.7 49: (ns/day) (hour/ns) 49: Performance: 240.282 0.100 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.8 49: (ns/day) (hour/ns) 49: Performance: 309.034 0.078 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.010 0.010 99.3 49: (ns/day) (hour/ns) 49: Performance: 140.444 0.171 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.018 0.018 99.5 49: (ns/day) (hour/ns) 49: Performance: 83.174 0.289 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (290 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.8 49: (ns/day) (hour/ns) 49: Performance: 342.788 0.070 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.6 49: (ns/day) (hour/ns) 49: Performance: 364.446 0.066 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.6 49: (ns/day) (hour/ns) 49: Performance: 350.831 0.068 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.004 98.1 49: (ns/day) (hour/ns) 49: Performance: 419.060 0.057 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.4 49: (ns/day) (hour/ns) 49: Performance: 283.624 0.085 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.0 49: (ns/day) (hour/ns) 49: Performance: 381.131 0.063 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (70 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.4 49: (ns/day) (hour/ns) 49: Performance: 504.429 0.048 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.007 0.008 99.1 49: (ns/day) (hour/ns) 49: Performance: 195.450 0.123 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.8 49: (ns/day) (hour/ns) 49: Performance: 249.649 0.096 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.5 49: (ns/day) (hour/ns) 49: Performance: 396.843 0.060 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.4 49: (ns/day) (hour/ns) 49: Performance: 276.260 0.087 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.8 49: (ns/day) (hour/ns) 49: Performance: 393.950 0.061 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (75 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.3 49: (ns/day) (hour/ns) 49: Performance: 305.904 0.078 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.5 49: (ns/day) (hour/ns) 49: Performance: 359.596 0.067 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.7 49: (ns/day) (hour/ns) 49: Performance: 390.727 0.061 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.005 97.9 49: (ns/day) (hour/ns) 49: Performance: 321.719 0.075 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.2 49: (ns/day) (hour/ns) 49: Performance: 332.663 0.072 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.1 49: (ns/day) (hour/ns) 49: Performance: 368.368 0.065 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (120 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: 49: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Using Berendsen pressure coupling invalidates the true ensemble for the 49: thermostat 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: 49: There was 1 warning 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.125 0.125 99.9 49: (ns/day) (hour/ns) 49: Performance: 11.750 2.043 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: 49: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Using Berendsen pressure coupling invalidates the true ensemble for the 49: thermostat 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: 49: There was 1 warning 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.3 49: (ns/day) (hour/ns) 49: Performance: 345.015 0.070 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: 49: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Using Berendsen pressure coupling invalidates the true ensemble for the 49: thermostat 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: 49: There was 1 warning 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.6 49: (ns/day) (hour/ns) 49: Performance: 518.394 0.046 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: 49: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Using Berendsen pressure coupling invalidates the true ensemble for the 49: thermostat 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: 49: There was 1 warning 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.007 0.007 98.6 49: (ns/day) (hour/ns) 49: Performance: 210.152 0.114 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: 49: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Using Berendsen pressure coupling invalidates the true ensemble for the 49: thermostat 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: 49: There was 1 warning 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.6 49: (ns/day) (hour/ns) 49: Performance: 406.184 0.059 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: 49: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Using Berendsen pressure coupling invalidates the true ensemble for the 49: thermostat 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: 49: There was 1 warning 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.3 49: (ns/day) (hour/ns) 49: Performance: 438.227 0.055 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (183 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.0 49: (ns/day) (hour/ns) 49: Performance: 279.012 0.086 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.030 0.030 99.7 49: (ns/day) (hour/ns) 49: Performance: 48.183 0.498 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.1 49: (ns/day) (hour/ns) 49: Performance: 351.171 0.068 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.9 49: (ns/day) (hour/ns) 49: Performance: 267.213 0.090 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.0 49: (ns/day) (hour/ns) 49: Performance: 394.152 0.061 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.004 98.5 49: (ns/day) (hour/ns) 49: Performance: 417.809 0.057 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (103 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.7 49: (ns/day) (hour/ns) 49: Performance: 478.902 0.050 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.6 49: (ns/day) (hour/ns) 49: Performance: 438.789 0.055 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.005 98.5 49: (ns/day) (hour/ns) 49: Performance: 325.544 0.074 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.9 49: (ns/day) (hour/ns) 49: Performance: 342.065 0.070 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.0 49: (ns/day) (hour/ns) 49: Performance: 331.750 0.072 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.007 98.6 49: (ns/day) (hour/ns) 49: Performance: 223.859 0.107 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (102 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.132 0.133 99.9 49: (ns/day) (hour/ns) 49: Performance: 11.079 2.166 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.1 49: (ns/day) (hour/ns) 49: Performance: 462.507 0.052 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.4 49: (ns/day) (hour/ns) 49: Performance: 349.398 0.069 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.013 0.013 99.3 49: (ns/day) (hour/ns) 49: Performance: 115.538 0.208 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.4 49: (ns/day) (hour/ns) 49: Performance: 411.145 0.058 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.061 0.061 99.9 49: (ns/day) (hour/ns) 49: Performance: 24.125 0.995 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (649 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.8 49: (ns/day) (hour/ns) 49: Performance: 343.649 0.070 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.009 0.009 99.0 49: (ns/day) (hour/ns) 49: Performance: 155.167 0.155 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.044 0.044 99.8 49: (ns/day) (hour/ns) 49: Performance: 33.434 0.718 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.015 0.016 99.1 49: (ns/day) (hour/ns) 49: Performance: 94.091 0.255 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.061 0.061 99.9 49: (ns/day) (hour/ns) 49: Performance: 24.172 0.993 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 97.3 49: (ns/day) (hour/ns) 49: Performance: 282.466 0.085 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (619 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.8 49: (ns/day) (hour/ns) 49: Performance: 250.298 0.096 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 99.0 49: (ns/day) (hour/ns) 49: Performance: 286.140 0.084 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.505 0.505 100.0 49: (ns/day) (hour/ns) 49: Performance: 2.911 8.246 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.4 49: (ns/day) (hour/ns) 49: Performance: 374.869 0.064 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.011 0.011 99.5 49: (ns/day) (hour/ns) 49: Performance: 136.040 0.176 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.3 49: (ns/day) (hour/ns) 49: Performance: 392.070 0.061 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (623 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.3 49: (ns/day) (hour/ns) 49: Performance: 522.749 0.046 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.9 49: (ns/day) (hour/ns) 49: Performance: 278.886 0.086 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.006 98.6 49: (ns/day) (hour/ns) 49: Performance: 266.116 0.090 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.011 0.011 99.3 49: (ns/day) (hour/ns) 49: Performance: 138.821 0.173 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 7.788 7.789 100.0 49: (ns/day) (hour/ns) 49: Performance: 0.189 127.264 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.220 0.220 100.0 49: (ns/day) (hour/ns) 49: Performance: 6.676 3.595 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (8324 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.050 0.050 99.9 49: (ns/day) (hour/ns) 49: Performance: 29.319 0.819 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 99.1 49: (ns/day) (hour/ns) 49: Performance: 305.267 0.079 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 99.0 49: (ns/day) (hour/ns) 49: Performance: 310.639 0.077 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.064 0.064 99.9 49: (ns/day) (hour/ns) 49: Performance: 22.777 1.054 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.2 49: (ns/day) (hour/ns) 49: Performance: 361.071 0.066 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 99.1 49: (ns/day) (hour/ns) 49: Performance: 305.464 0.079 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (461 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.3 49: (ns/day) (hour/ns) 49: Performance: 440.546 0.054 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.3 49: (ns/day) (hour/ns) 49: Performance: 440.263 0.055 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.0 49: (ns/day) (hour/ns) 49: Performance: 338.717 0.071 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.4 49: (ns/day) (hour/ns) 49: Performance: 269.221 0.089 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 99.0 49: (ns/day) (hour/ns) 49: Performance: 289.856 0.083 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.9 49: (ns/day) (hour/ns) 49: Performance: 292.943 0.082 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (182 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.9 49: (ns/day) (hour/ns) 49: Performance: 358.008 0.067 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.9 49: (ns/day) (hour/ns) 49: Performance: 351.532 0.068 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.5 49: (ns/day) (hour/ns) 49: Performance: 394.278 0.061 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.9 49: (ns/day) (hour/ns) 49: Performance: 392.520 0.061 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.8 49: (ns/day) (hour/ns) 49: Performance: 340.045 0.071 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.007 98.9 49: (ns/day) (hour/ns) 49: Performance: 224.929 0.107 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (68 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.504 0.504 100.0 49: (ns/day) (hour/ns) 49: Performance: 2.915 8.234 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.013 0.013 99.3 49: (ns/day) (hour/ns) 49: Performance: 112.854 0.213 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.013 0.013 99.3 49: (ns/day) (hour/ns) 49: Performance: 114.064 0.210 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.5 49: (ns/day) (hour/ns) 49: Performance: 297.412 0.081 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.5 49: (ns/day) (hour/ns) 49: Performance: 233.861 0.103 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.8 49: (ns/day) (hour/ns) 49: Performance: 248.672 0.097 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (659 ms) 49: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest (13953 ms total) 49: 49: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.7 49: (ns/day) (hour/ns) 49: Performance: 464.460 0.052 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.8 49: (ns/day) (hour/ns) 49: Performance: 245.334 0.098 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.012 0.012 99.3 49: (ns/day) (hour/ns) 49: Performance: 122.152 0.196 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.6 49: (ns/day) (hour/ns) 49: Performance: 313.245 0.077 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.127 0.127 99.9 49: (ns/day) (hour/ns) 49: Performance: 11.538 2.080 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.007 98.7 49: (ns/day) (hour/ns) 49: Performance: 223.396 0.107 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (6462 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.025 0.025 99.2 49: (ns/day) (hour/ns) 49: Performance: 59.147 0.406 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.5 49: (ns/day) (hour/ns) 49: Performance: 471.282 0.051 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.6 49: (ns/day) (hour/ns) 49: Performance: 369.806 0.065 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.2 49: (ns/day) (hour/ns) 49: Performance: 377.719 0.064 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.1 49: (ns/day) (hour/ns) 49: Performance: 306.162 0.078 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.5 49: (ns/day) (hour/ns) 49: Performance: 281.460 0.085 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (5398 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.2 49: (ns/day) (hour/ns) 49: Performance: 312.641 0.077 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.009 0.009 98.8 49: (ns/day) (hour/ns) 49: Performance: 164.011 0.146 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.405 0.405 100.0 49: (ns/day) (hour/ns) 49: Performance: 3.622 6.625 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.404 0.404 100.0 49: (ns/day) (hour/ns) 49: Performance: 3.636 6.601 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.4 49: (ns/day) (hour/ns) 49: Performance: 233.648 0.103 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.105 0.105 99.9 49: (ns/day) (hour/ns) 49: Performance: 13.958 1.719 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (6700 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.206 0.206 99.9 49: (ns/day) (hour/ns) 49: Performance: 7.116 3.373 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.6 49: (ns/day) (hour/ns) 49: Performance: 345.577 0.069 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.037 0.037 99.7 49: (ns/day) (hour/ns) 49: Performance: 39.779 0.603 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.028 0.028 99.5 49: (ns/day) (hour/ns) 49: Performance: 52.148 0.460 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.303 0.303 100.0 49: (ns/day) (hour/ns) 49: Performance: 4.840 4.959 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.020 0.020 99.6 49: (ns/day) (hour/ns) 49: Performance: 74.349 0.323 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (6857 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.6 49: (ns/day) (hour/ns) 49: Performance: 342.731 0.070 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.6 49: (ns/day) (hour/ns) 49: Performance: 317.213 0.076 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.114 0.114 99.9 49: (ns/day) (hour/ns) 49: Performance: 12.875 1.864 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.1 49: (ns/day) (hour/ns) 49: Performance: 280.180 0.086 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.909 0.909 100.0 49: (ns/day) (hour/ns) 49: Performance: 1.616 14.850 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.009 0.009 98.0 49: (ns/day) (hour/ns) 49: Performance: 159.460 0.151 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (6647 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 1.299 1.299 100.0 49: (ns/day) (hour/ns) 49: Performance: 1.131 21.228 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.2 49: (ns/day) (hour/ns) 49: Performance: 466.782 0.051 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.9 49: (ns/day) (hour/ns) 49: Performance: 390.430 0.061 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.206 0.206 100.0 49: (ns/day) (hour/ns) 49: Performance: 7.140 3.361 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.010 0.010 98.6 49: (ns/day) (hour/ns) 49: Performance: 147.757 0.162 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.300 0.300 99.9 49: (ns/day) (hour/ns) 49: Performance: 4.889 4.909 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (6891 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.103 0.103 100.0 49: (ns/day) (hour/ns) 49: Performance: 14.317 1.676 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 99.3 49: (ns/day) (hour/ns) 49: Performance: 287.865 0.083 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.402 0.402 100.0 49: (ns/day) (hour/ns) 49: Performance: 3.650 6.575 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.306 0.306 100.0 49: (ns/day) (hour/ns) 49: Performance: 4.795 5.005 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.012 0.012 99.7 49: (ns/day) (hour/ns) 49: Performance: 120.090 0.200 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.094 0.094 100.0 49: (ns/day) (hour/ns) 49: Performance: 15.614 1.537 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (6331 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.0 49: (ns/day) (hour/ns) 49: Performance: 329.885 0.073 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.3 49: (ns/day) (hour/ns) 49: Performance: 378.368 0.063 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.9 49: (ns/day) (hour/ns) 49: Performance: 263.071 0.091 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.038 0.038 99.9 49: (ns/day) (hour/ns) 49: Performance: 38.851 0.618 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.200 0.200 99.9 49: (ns/day) (hour/ns) 49: Performance: 7.352 3.265 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 49: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 99.3 49: (ns/day) (hour/ns) 49: Performance: 306.818 0.078 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (5718 ms) 49: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest (51005 ms total) 49: 49: [----------] Global test environment tear-down 49: [==========] 27 tests from 3 test cases ran. (65123 ms total) 49: [ PASSED ] 27 tests. 49/54 Test #49: MdrunMpiCoordinationTestsOneRank .... Passed 65.26 sec test 50 Start 50: MdrunMpiCoordinationTestsTwoRanks 50: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/mdrun-mpi-coordination-test "-ntmpi" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/MdrunMpiCoordinationTestsTwoRanks.xml" 50: Test timeout computed to be: 960 50: [==========] Running 27 tests from 3 test cases. 50: [----------] Global test environment set-up. 50: [----------] 1 test from BasicPropagators/PeriodicActionsTest 50: [ RUN ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 0.8%. 50: The balanceable part of the MD step is 2%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.0%. 50: 50: 50: NOTE: 23 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.111 0.056 199.3 50: (ns/day) (hour/ns) 50: Performance: 26.381 0.910 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 4.6%. 50: The balanceable part of the MD step is 48%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 2.2%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 81 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.070 0.038 181.8 50: (ns/day) (hour/ns) 50: Performance: 38.156 0.629 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.1%. 50: The balanceable part of the MD step is 51%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.0%. 50: 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.012 0.006 196.0 50: (ns/day) (hour/ns) 50: Performance: 233.285 0.103 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 29.7%. 50: The balanceable part of the MD step is 38%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 11.3%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: NOTE: 11.3 % of the available CPU time was lost due to load imbalance 50: in the domain decomposition. 50: You can consider manually changing the decomposition (option -dd); 50: e.g. by using fewer domains along the box dimension in which there is 50: considerable inhomogeneity in the simulated system. 50: 50: NOTE: 33 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 196.9 50: (ns/day) (hour/ns) 50: Performance: 278.200 0.086 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.1%. 50: The balanceable part of the MD step is 36%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.4%. 50: 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.004 194.3 50: (ns/day) (hour/ns) 50: Performance: 330.655 0.073 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.0%. 50: The balanceable part of the MD step is 38%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.4%. 50: 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 196.1 50: (ns/day) (hour/ns) 50: Performance: 381.863 0.063 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: [ OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (747 ms) 50: [----------] 1 test from BasicPropagators/PeriodicActionsTest (747 ms total) 50: 50: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 4.8%. 50: The balanceable part of the MD step is 51%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 2.4%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 194.1 50: (ns/day) (hour/ns) 50: Performance: 326.277 0.074 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 6.2%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.0%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 89 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.100 0.052 193.1 50: (ns/day) (hour/ns) 50: Performance: 28.370 0.846 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 0.8%. 50: The balanceable part of the MD step is 30%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.2%. 50: 50: 50: NOTE: 50 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.406 0.203 199.9 50: (ns/day) (hour/ns) 50: Performance: 7.236 3.317 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.0%. 50: The balanceable part of the MD step is 36%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.7%. 50: 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 195.6 50: (ns/day) (hour/ns) 50: Performance: 440.137 0.055 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 6.6%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.2%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 37 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.5 50: (ns/day) (hour/ns) 50: Performance: 343.620 0.070 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 6.3%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.1%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 38 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 194.8 50: (ns/day) (hour/ns) 50: Performance: 410.460 0.058 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (513 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.5%. 50: The balanceable part of the MD step is 47%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.2%. 50: 50: 50: NOTE: 37 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 194.6 50: (ns/day) (hour/ns) 50: Performance: 396.435 0.061 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 0.6%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.3%. 50: 50: 50: NOTE: 37 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.012 0.006 197.2 50: (ns/day) (hour/ns) 50: Performance: 241.696 0.099 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.9%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.4%. 50: 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 194.2 50: (ns/day) (hour/ns) 50: Performance: 321.182 0.075 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.3%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.7%. 50: 50: 50: NOTE: 44 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.019 0.010 196.8 50: (ns/day) (hour/ns) 50: Performance: 152.573 0.157 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.3%. 50: The balanceable part of the MD step is 47%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.5%. 50: 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.108 0.054 199.6 50: (ns/day) (hour/ns) 50: Performance: 27.020 0.888 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 6.4%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.2%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 50 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.372 0.186 199.9 50: (ns/day) (hour/ns) 50: Performance: 7.902 3.037 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (364 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.4%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.2%. 50: 50: 50: NOTE: 46 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.023 0.012 198.4 50: (ns/day) (hour/ns) 50: Performance: 126.901 0.189 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.6%. 50: The balanceable part of the MD step is 51%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.3%. 50: 50: 50: NOTE: 38 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 194.7 50: (ns/day) (hour/ns) 50: Performance: 362.868 0.066 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.7%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.8%. 50: 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 197.0 50: (ns/day) (hour/ns) 50: Performance: 280.927 0.085 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 0.8%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.4%. 50: 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.112 0.056 199.7 50: (ns/day) (hour/ns) 50: Performance: 26.128 0.919 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 4.2%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 2.1%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 44 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.015 0.008 197.8 50: (ns/day) (hour/ns) 50: Performance: 193.714 0.124 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 0.2%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.1%. 50: 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 196.4 50: (ns/day) (hour/ns) 50: Performance: 382.005 0.063 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (130 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 196.5 50: (ns/day) (hour/ns) 50: Performance: 407.784 0.059 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 96 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.092 0.046 199.3 50: (ns/day) (hour/ns) 50: Performance: 31.875 0.753 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 50 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.184 0.092 199.8 50: (ns/day) (hour/ns) 50: Performance: 15.911 1.508 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 196.2 50: (ns/day) (hour/ns) 50: Performance: 392.507 0.061 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 195.7 50: (ns/day) (hour/ns) 50: Performance: 459.506 0.052 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 196.7 50: (ns/day) (hour/ns) 50: Performance: 400.702 0.060 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (196 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 196.8 50: (ns/day) (hour/ns) 50: Performance: 369.584 0.065 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.094 0.047 199.5 50: (ns/day) (hour/ns) 50: Performance: 31.098 0.772 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 44 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.892 0.494 180.4 50: (ns/day) (hour/ns) 50: Performance: 2.972 8.075 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.012 0.006 196.2 50: (ns/day) (hour/ns) 50: Performance: 241.933 0.099 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 38 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.1 50: (ns/day) (hour/ns) 50: Performance: 358.278 0.067 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 196.4 50: (ns/day) (hour/ns) 50: Performance: 423.671 0.057 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (1109 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 50 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 1.116 0.558 200.0 50: (ns/day) (hour/ns) 50: Performance: 2.633 9.115 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.052 0.026 199.3 50: (ns/day) (hour/ns) 50: Performance: 56.496 0.425 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 195.7 50: (ns/day) (hour/ns) 50: Performance: 300.744 0.080 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 50 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.433 0.217 199.9 50: (ns/day) (hour/ns) 50: Performance: 6.776 3.542 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 195.5 50: (ns/day) (hour/ns) 50: Performance: 396.333 0.061 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 196.5 50: (ns/day) (hour/ns) 50: Performance: 446.841 0.054 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (901 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 37 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 195.6 50: (ns/day) (hour/ns) 50: Performance: 465.636 0.052 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 193.5 50: (ns/day) (hour/ns) 50: Performance: 345.800 0.069 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.004 196.6 50: (ns/day) (hour/ns) 50: Performance: 337.465 0.071 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 196.0 50: (ns/day) (hour/ns) 50: Performance: 440.830 0.054 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 195.7 50: (ns/day) (hour/ns) 50: Performance: 405.609 0.059 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.004 196.0 50: (ns/day) (hour/ns) 50: Performance: 329.999 0.073 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (404 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: 50: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Using Berendsen pressure coupling invalidates the true ensemble for the 50: thermostat 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: 50: There was 1 warning 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 194.0 50: (ns/day) (hour/ns) 50: Performance: 427.181 0.056 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: 50: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Using Berendsen pressure coupling invalidates the true ensemble for the 50: thermostat 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: 50: There was 1 warning 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.079 0.039 199.1 50: (ns/day) (hour/ns) 50: Performance: 37.207 0.645 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: 50: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Using Berendsen pressure coupling invalidates the true ensemble for the 50: thermostat 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: 50: There was 1 warning 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 196.5 50: (ns/day) (hour/ns) 50: Performance: 280.633 0.086 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: 50: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Using Berendsen pressure coupling invalidates the true ensemble for the 50: thermostat 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: 50: There was 1 warning 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.6 50: (ns/day) (hour/ns) 50: Performance: 363.500 0.066 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: 50: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Using Berendsen pressure coupling invalidates the true ensemble for the 50: thermostat 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: 50: There was 1 warning 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 192.7 50: (ns/day) (hour/ns) 50: Performance: 353.498 0.068 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: 50: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Using Berendsen pressure coupling invalidates the true ensemble for the 50: thermostat 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: 50: There was 1 warning 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 47 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.067 0.034 199.3 50: (ns/day) (hour/ns) 50: Performance: 43.663 0.550 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (162 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.015 0.007 195.7 50: (ns/day) (hour/ns) 50: Performance: 198.195 0.121 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 38 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.012 0.006 195.4 50: (ns/day) (hour/ns) 50: Performance: 241.772 0.099 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 95 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.089 0.045 199.4 50: (ns/day) (hour/ns) 50: Performance: 32.764 0.733 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.005 0.003 193.3 50: (ns/day) (hour/ns) 50: Performance: 534.240 0.045 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 194.1 50: (ns/day) (hour/ns) 50: Performance: 446.549 0.054 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 194.3 50: (ns/day) (hour/ns) 50: Performance: 344.148 0.070 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (140 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.8 50: (ns/day) (hour/ns) 50: Performance: 347.418 0.069 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.199 0.099 199.8 50: (ns/day) (hour/ns) 50: Performance: 14.770 1.625 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.004 195.6 50: (ns/day) (hour/ns) 50: Performance: 337.919 0.071 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 46 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.057 0.029 199.4 50: (ns/day) (hour/ns) 50: Performance: 51.263 0.468 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.203 0.102 199.8 50: (ns/day) (hour/ns) 50: Performance: 14.430 1.663 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.059 0.030 199.2 50: (ns/day) (hour/ns) 50: Performance: 49.761 0.482 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (397 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.141 0.071 199.7 50: (ns/day) (hour/ns) 50: Performance: 20.831 1.152 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 196.2 50: (ns/day) (hour/ns) 50: Performance: 446.906 0.054 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 195.8 50: (ns/day) (hour/ns) 50: Performance: 404.238 0.059 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 195.8 50: (ns/day) (hour/ns) 50: Performance: 309.065 0.078 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.015 0.008 195.4 50: (ns/day) (hour/ns) 50: Performance: 191.997 0.125 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.014 0.007 195.1 50: (ns/day) (hour/ns) 50: Performance: 205.278 0.117 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (204 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 45 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.016 0.008 197.0 50: (ns/day) (hour/ns) 50: Performance: 180.684 0.133 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.053 0.027 199.4 50: (ns/day) (hour/ns) 50: Performance: 55.064 0.436 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.093 0.047 199.4 50: (ns/day) (hour/ns) 50: Performance: 31.381 0.765 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.177 0.088 199.8 50: (ns/day) (hour/ns) 50: Performance: 16.601 1.446 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 195.3 50: (ns/day) (hour/ns) 50: Performance: 318.640 0.075 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.013 0.007 195.5 50: (ns/day) (hour/ns) 50: Performance: 222.396 0.108 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (288 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.2%. 50: The balanceable part of the MD step is 59%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.7%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.506 0.253 199.9 50: (ns/day) (hour/ns) 50: Performance: 5.806 4.133 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 4.0%. 50: The balanceable part of the MD step is 55%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 2.2%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 194.7 50: (ns/day) (hour/ns) 50: Performance: 353.783 0.068 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.1%. 50: The balanceable part of the MD step is 57%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.6%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 193.5 50: (ns/day) (hour/ns) 50: Performance: 428.325 0.056 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 0.9%. 50: The balanceable part of the MD step is 56%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.5%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 192.9 50: (ns/day) (hour/ns) 50: Performance: 424.664 0.057 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.5%. 50: The balanceable part of the MD step is 57%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 2.0%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 193.9 50: (ns/day) (hour/ns) 50: Performance: 412.922 0.058 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.3%. 50: The balanceable part of the MD step is 58%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.9%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 192.3 50: (ns/day) (hour/ns) 50: Performance: 363.832 0.066 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (361 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 4.7%. 50: The balanceable part of the MD step is 51%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 2.4%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 48 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.062 0.031 199.3 50: (ns/day) (hour/ns) 50: Performance: 47.497 0.505 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.5%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.7%. 50: 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 196.2 50: (ns/day) (hour/ns) 50: Performance: 405.716 0.059 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.0%. 50: The balanceable part of the MD step is 52%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.5%. 50: 50: 50: NOTE: 50 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.492 0.246 199.9 50: (ns/day) (hour/ns) 50: Performance: 5.969 4.021 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.8%. 50: The balanceable part of the MD step is 55%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.0%. 50: 50: 50: NOTE: 37 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 194.8 50: (ns/day) (hour/ns) 50: Performance: 350.961 0.068 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 4.4%. 50: The balanceable part of the MD step is 40%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.8%. 50: 50: 50: NOTE: 35 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.0 50: (ns/day) (hour/ns) 50: Performance: 345.006 0.070 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.7%. 50: The balanceable part of the MD step is 53%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.9%. 50: 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 196.5 50: (ns/day) (hour/ns) 50: Performance: 299.051 0.080 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (343 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.097 0.049 199.1 50: (ns/day) (hour/ns) 50: Performance: 30.118 0.797 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 192.7 50: (ns/day) (hour/ns) 50: Performance: 364.069 0.066 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 193.4 50: (ns/day) (hour/ns) 50: Performance: 396.460 0.061 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 192.9 50: (ns/day) (hour/ns) 50: Performance: 462.438 0.052 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 193.7 50: (ns/day) (hour/ns) 50: Performance: 427.641 0.056 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 194.0 50: (ns/day) (hour/ns) 50: Performance: 431.490 0.056 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (108 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.192 0.096 199.8 50: (ns/day) (hour/ns) 50: Performance: 15.309 1.568 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 196.2 50: (ns/day) (hour/ns) 50: Performance: 386.984 0.062 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 195.5 50: (ns/day) (hour/ns) 50: Performance: 296.225 0.081 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 48 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.049 0.024 199.0 50: (ns/day) (hour/ns) 50: Performance: 60.086 0.399 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 195.6 50: (ns/day) (hour/ns) 50: Performance: 306.673 0.078 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.071 0.036 199.4 50: (ns/day) (hour/ns) 50: Performance: 41.178 0.583 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (305 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 94 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.076 0.038 199.0 50: (ns/day) (hour/ns) 50: Performance: 38.610 0.622 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 196.4 50: (ns/day) (hour/ns) 50: Performance: 290.300 0.083 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.2 50: (ns/day) (hour/ns) 50: Performance: 348.282 0.069 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 38 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 194.6 50: (ns/day) (hour/ns) 50: Performance: 374.368 0.064 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 6 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.104 0.052 199.7 50: (ns/day) (hour/ns) 50: Performance: 28.217 0.851 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.4 50: (ns/day) (hour/ns) 50: Performance: 362.409 0.066 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (161 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 36 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.7 50: (ns/day) (hour/ns) 50: Performance: 357.717 0.067 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 37 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.004 196.6 50: (ns/day) (hour/ns) 50: Performance: 327.787 0.073 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 36 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 194.8 50: (ns/day) (hour/ns) 50: Performance: 310.420 0.077 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 196.4 50: (ns/day) (hour/ns) 50: Performance: 281.376 0.085 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.012 0.006 196.8 50: (ns/day) (hour/ns) 50: Performance: 248.426 0.097 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 48 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.043 0.022 198.7 50: (ns/day) (hour/ns) 50: Performance: 67.717 0.354 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as single precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (137 ms) 50: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest (6224 ms total) 50: 50: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.3%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.6%. 50: 50: 50: NOTE: 45 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.022 0.011 197.4 50: (ns/day) (hour/ns) 50: Performance: 133.495 0.180 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.0%. 50: The balanceable part of the MD step is 35%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.7%. 50: 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 196.5 50: (ns/day) (hour/ns) 50: Performance: 378.078 0.063 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.0%. 50: The balanceable part of the MD step is 51%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.5%. 50: 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.197 0.099 199.8 50: (ns/day) (hour/ns) 50: Performance: 14.863 1.615 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.4%. 50: The balanceable part of the MD step is 8%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.2%. 50: 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.018 0.009 198.0 50: (ns/day) (hour/ns) 50: Performance: 161.213 0.149 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.7%. 50: The balanceable part of the MD step is 48%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.8%. 50: 50: 50: NOTE: 48 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.068 0.034 199.2 50: (ns/day) (hour/ns) 50: Performance: 42.766 0.561 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.9%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.9%. 50: 50: 50: NOTE: 45 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.020 0.010 197.0 50: (ns/day) (hour/ns) 50: Performance: 146.166 0.164 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as single precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (6785 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB got disabled because it was unsuitable to use. 50: Average load imbalance: 9.0%. 50: The balanceable part of the MD step is 48%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 4.3%. 50: 50: 50: NOTE: 50 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.257 0.129 199.8 50: (ns/day) (hour/ns) 50: Performance: 11.425 2.101 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.9%. 50: The balanceable part of the MD step is 40%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.6%. 50: 50: 50: NOTE: 50 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.407 0.204 199.8 50: (ns/day) (hour/ns) 50: Performance: 7.216 3.326 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB got disabled because it was unsuitable to use. 50: Average load imbalance: 6.2%. 50: The balanceable part of the MD step is 55%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.4%. 50: 50: 50: NOTE: 46 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.032 0.016 198.6 50: (ns/day) (hour/ns) 50: Performance: 92.347 0.260 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.6%. 50: The balanceable part of the MD step is 54%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.8%. 50: 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.011 0.006 196.8 50: (ns/day) (hour/ns) 50: Performance: 259.793 0.092 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.0%. 50: The balanceable part of the MD step is 51%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.5%. 50: 50: 50: NOTE: 50 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.996 0.498 199.9 50: (ns/day) (hour/ns) 50: Performance: 2.949 8.137 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB got disabled because it was unsuitable to use. 50: Average load imbalance: 4.2%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 2.1%. 50: 50: 50: NOTE: 50 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.383 0.192 199.9 50: (ns/day) (hour/ns) 50: Performance: 7.663 3.132 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as single precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (8065 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.087 0.044 199.5 50: (ns/day) (hour/ns) 50: Performance: 33.504 0.716 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.015 0.007 196.9 50: (ns/day) (hour/ns) 50: Performance: 196.937 0.122 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 1.087 0.544 200.0 50: (ns/day) (hour/ns) 50: Performance: 2.701 8.886 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.680 0.340 199.9 50: (ns/day) (hour/ns) 50: Performance: 4.316 5.561 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.481 0.241 199.5 50: (ns/day) (hour/ns) 50: Performance: 6.097 3.937 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.014 0.007 197.0 50: (ns/day) (hour/ns) 50: Performance: 208.237 0.115 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as single precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (7366 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.025 0.013 198.3 50: (ns/day) (hour/ns) 50: Performance: 114.198 0.210 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.013 0.007 196.5 50: (ns/day) (hour/ns) 50: Performance: 218.294 0.110 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 194.8 50: (ns/day) (hour/ns) 50: Performance: 344.996 0.070 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 194.6 50: (ns/day) (hour/ns) 50: Performance: 294.617 0.081 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.502 0.251 199.8 50: (ns/day) (hour/ns) 50: Performance: 5.851 4.102 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.477 0.239 199.9 50: (ns/day) (hour/ns) 50: Performance: 6.151 3.902 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as single precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (8338 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.192 0.096 199.8 50: (ns/day) (hour/ns) 50: Performance: 15.271 1.572 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.015 0.008 197.7 50: (ns/day) (hour/ns) 50: Performance: 195.360 0.123 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.085 0.043 199.4 50: (ns/day) (hour/ns) 50: Performance: 34.425 0.697 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 194.5 50: (ns/day) (hour/ns) 50: Performance: 308.353 0.078 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.020 0.010 197.3 50: (ns/day) (hour/ns) 50: Performance: 146.969 0.163 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.081 0.040 199.4 50: (ns/day) (hour/ns) 50: Performance: 36.330 0.661 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as single precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (5700 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.018 0.009 198.3 50: (ns/day) (hour/ns) 50: Performance: 163.078 0.147 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.015 0.008 197.9 50: (ns/day) (hour/ns) 50: Performance: 195.342 0.123 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 2.337 1.169 200.0 50: (ns/day) (hour/ns) 50: Performance: 1.257 19.098 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 2.379 1.190 199.9 50: (ns/day) (hour/ns) 50: Performance: 1.234 19.443 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.030 0.015 197.3 50: (ns/day) (hour/ns) 50: Performance: 95.312 0.252 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.410 0.205 199.9 50: (ns/day) (hour/ns) 50: Performance: 7.162 3.351 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as single precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (7902 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 0.8%. 50: The balanceable part of the MD step is 58%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.4%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.049 0.025 196.8 50: (ns/day) (hour/ns) 50: Performance: 58.572 0.410 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.1%. 50: The balanceable part of the MD step is 3%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.1%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.065 0.033 197.6 50: (ns/day) (hour/ns) 50: Performance: 44.749 0.536 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB got disabled because it was unsuitable to use. 50: Average load imbalance: 5.3%. 50: The balanceable part of the MD step is 55%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 2.9%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.057 0.029 199.2 50: (ns/day) (hour/ns) 50: Performance: 50.893 0.472 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.1%. 50: The balanceable part of the MD step is 58%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.8%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 194.4 50: (ns/day) (hour/ns) 50: Performance: 277.092 0.087 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 0.8%. 50: The balanceable part of the MD step is 58%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.5%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.080 0.040 199.2 50: (ns/day) (hour/ns) 50: Performance: 36.789 0.652 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.3%. 50: The balanceable part of the MD step is 58%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.7%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 195.2 50: (ns/day) (hour/ns) 50: Performance: 295.238 0.081 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as single precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (5660 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 3.670 1.836 199.9 50: (ns/day) (hour/ns) 50: Performance: 0.800 29.994 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.071 0.036 199.1 50: (ns/day) (hour/ns) 50: Performance: 40.937 0.586 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.016 0.008 193.7 50: (ns/day) (hour/ns) 50: Performance: 182.701 0.131 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 1.288 0.644 199.9 50: (ns/day) (hour/ns) 50: Performance: 2.279 10.530 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.855 0.428 199.8 50: (ns/day) (hour/ns) 50: Performance: 3.432 6.992 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 50: Changing nstlist from 8 to 25, rlist from 0.759 to 0.912 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 193.3 50: (ns/day) (hour/ns) 50: Performance: 359.680 0.067 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as single precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as single precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (9081 ms) 50: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest (58897 ms total) 50: 50: [----------] Global test environment tear-down 50: [==========] 27 tests from 3 test cases ran. (65868 ms total) 50: [ PASSED ] 27 tests. 50/54 Test #50: MdrunMpiCoordinationTestsTwoRanks ... Passed 65.89 sec test 51 Start 51: GmxapiExternalInterfaceTests 51: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/gmxapi-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/GmxapiExternalInterfaceTests.xml" 51: Test timeout computed to be: 600 51: [==========] Running 9 tests from 2 test cases. 51: [----------] Global test environment set-up. 51: [----------] 8 tests from GmxApiTest 51: [ RUN ] GmxApiTest.ApiRunnerRestrainedMD 51: Setting the LD random seed to -100861955 51: Generated 331705 of the 331705 non-bonded parameter combinations 51: Generating 1-4 interactions: fudge = 0.5 51: Generated 331705 of the 331705 1-4 parameter combinations 51: Excluding 2 bonded neighbours molecule type 'SOL' 51: Excluding 3 bonded neighbours molecule type 'methane' 51: 51: NOTE 1 [file spc_and_methane.top, line 33]: 51: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 51: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 51: the time step of 2.0e-03 ps. 51: Maybe you forgot to change the constraints mdp option. 51: 51: Number of degrees of freedom in T-Coupling group System is 18.00 51: 51: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerRestrainedMD_input.mdp]: 51: You are using a plain Coulomb cut-off, which might produce artifacts. 51: You might want to consider using PME electrostatics. 51: 51: 51: 51: There were 2 notes 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerRestrainedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 2 steps, 0.0 ps. 51: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 51: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 51: Note that mdrun will redetermine rlist based on the actual pair-list setup 51: This run will generate roughly 0 Mb of data 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.111 0.055 199.5 51: (ns/day) (hour/ns) 51: Performance: 9.131 2.629 51: [ OK ] GmxApiTest.ApiRunnerRestrainedMD (1236 ms) 51: [ RUN ] GmxApiTest.SystemConstruction 51: Setting the LD random seed to -1090782225 51: Generated 331705 of the 331705 non-bonded parameter combinations 51: Generating 1-4 interactions: fudge = 0.5 51: Generated 331705 of the 331705 1-4 parameter combinations 51: Excluding 2 bonded neighbours molecule type 'SOL' 51: Excluding 3 bonded neighbours molecule type 'methane' 51: 51: NOTE 1 [file spc_and_methane.top, line 33]: 51: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 51: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 51: the time step of 2.0e-03 ps. 51: Maybe you forgot to change the constraints mdp option. 51: 51: Number of degrees of freedom in T-Coupling group System is 18.00 51: 51: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_SystemConstruction_input.mdp]: 51: You are using a plain Coulomb cut-off, which might produce artifacts. 51: You might want to consider using PME electrostatics. 51: 51: 51: 51: There were 2 notes 51: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 51: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 51: Note that mdrun will redetermine rlist based on the actual pair-list setup 51: This run will generate roughly 0 Mb of data 51: [ OK ] GmxApiTest.SystemConstruction (697 ms) 51: [ RUN ] GmxApiTest.SaneVersionComparisons 51: [ OK ] GmxApiTest.SaneVersionComparisons (0 ms) 51: [ RUN ] GmxApiTest.VersionNamed0_1_Features 51: [ OK ] GmxApiTest.VersionNamed0_1_Features (0 ms) 51: [ RUN ] GmxApiTest.RunnerBasicMD 51: Setting the LD random seed to -1101004932 51: Generated 331705 of the 331705 non-bonded parameter combinations 51: Generating 1-4 interactions: fudge = 0.5 51: Generated 331705 of the 331705 1-4 parameter combinations 51: Excluding 2 bonded neighbours molecule type 'SOL' 51: Excluding 3 bonded neighbours molecule type 'methane' 51: 51: NOTE 1 [file spc_and_methane.top, line 33]: 51: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 51: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 51: the time step of 2.0e-03 ps. 51: Maybe you forgot to change the constraints mdp option. 51: 51: Number of degrees of freedom in T-Coupling group System is 18.00 51: 51: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerBasicMD_input.mdp]: 51: You are using a plain Coulomb cut-off, which might produce artifacts. 51: You might want to consider using PME electrostatics. 51: 51: 51: 51: There were 2 notes 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerBasicMD.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 2 steps, 0.0 ps. 51: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 51: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 51: Note that mdrun will redetermine rlist based on the actual pair-list setup 51: This run will generate roughly 0 Mb of data 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.053 0.027 199.1 51: (ns/day) (hour/ns) 51: Performance: 18.850 1.273 51: [ OK ] GmxApiTest.RunnerBasicMD (744 ms) 51: [ RUN ] GmxApiTest.RunnerReinitialize 51: Setting the LD random seed to -5539910 51: Generated 331705 of the 331705 non-bonded parameter combinations 51: Generating 1-4 interactions: fudge = 0.5 51: Generated 331705 of the 331705 1-4 parameter combinations 51: Excluding 2 bonded neighbours molecule type 'SOL' 51: Excluding 3 bonded neighbours molecule type 'methane' 51: 51: NOTE 1 [file spc_and_methane.top, line 33]: 51: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 51: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 51: the time step of 2.0e-03 ps. 51: Maybe you forgot to change the constraints mdp option. 51: 51: Number of degrees of freedom in T-Coupling group System is 18.00 51: 51: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize_input.mdp]: 51: You are using a plain Coulomb cut-off, which might produce artifacts. 51: You might want to consider using PME electrostatics. 51: 51: 51: 51: There were 2 notes 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 20 steps, 0.0 ps. 51: 51: 51: Received the remote INT/TERM signal, stopping within 50 steps 51: 51: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 51: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 51: Note that mdrun will redetermine rlist based on the actual pair-list setup 51: This run will generate roughly 0 Mb of data 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.011 0.006 195.6 51: (ns/day) (hour/ns) 51: Performance: 618.156 0.039 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 20 steps, 0.0 ps. 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.064 0.032 199.2 51: (ns/day) (hour/ns) 51: Performance: 110.497 0.217 51: [ OK ] GmxApiTest.RunnerReinitialize (1196 ms) 51: [ RUN ] GmxApiTest.RunnerContinuedMD 51: Setting the LD random seed to 2147426223 51: Generated 331705 of the 331705 non-bonded parameter combinations 51: Generating 1-4 interactions: fudge = 0.5 51: Generated 331705 of the 331705 1-4 parameter combinations 51: Excluding 2 bonded neighbours molecule type 'SOL' 51: Excluding 3 bonded neighbours molecule type 'methane' 51: 51: NOTE 1 [file spc_and_methane.top, line 33]: 51: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 51: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 51: the time step of 2.0e-03 ps. 51: Maybe you forgot to change the constraints mdp option. 51: 51: Number of degrees of freedom in T-Coupling group System is 18.00 51: 51: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD_input.mdp]: 51: You are using a plain Coulomb cut-off, which might produce artifacts. 51: You might want to consider using PME electrostatics. 51: 51: 51: 51: There were 2 notes 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 10 steps, 0.0 ps. 51: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 51: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 51: Note that mdrun will redetermine rlist based on the actual pair-list setup 51: This run will generate roughly 0 Mb of data 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.058 0.029 198.4 51: (ns/day) (hour/ns) 51: Performance: 63.006 0.381 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 51: 51: Overriding nsteps with value passed on the command line: 20 steps, 0.0391 ps 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 20 steps, 0.0 ps. 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.037 0.019 198.1 51: (ns/day) (hour/ns) 51: Performance: 187.385 0.128 51: [ OK ] GmxApiTest.RunnerContinuedMD (1628 ms) 51: [ RUN ] GmxApiTest.ApiRunnerStopSignalClient 51: Setting the LD random seed to -18350149 51: Generated 331705 of the 331705 non-bonded parameter combinations 51: Generating 1-4 interactions: fudge = 0.5 51: Generated 331705 of the 331705 1-4 parameter combinations 51: Excluding 2 bonded neighbours molecule type 'SOL' 51: Excluding 3 bonded neighbours molecule type 'methane' 51: 51: NOTE 1 [file spc_and_methane.top, line 33]: 51: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 51: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 51: the time step of 2.0e-03 ps. 51: Maybe you forgot to change the constraints mdp option. 51: 51: Number of degrees of freedom in T-Coupling group System is 18.00 51: 51: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient_input.mdp]: 51: You are using a plain Coulomb cut-off, which might produce artifacts. 51: You might want to consider using PME electrostatics. 51: 51: 51: 51: There were 2 notes 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 51: Changing nstlist from 10 to 1, rlist from 1.041 to 1 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 1 steps, 0.0 ps. 51: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 51: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 51: Note that mdrun will redetermine rlist based on the actual pair-list setup 51: This run will generate roughly 0 Mb of data 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.209 0.104 199.8 51: (ns/day) (hour/ns) 51: Performance: 3.233 7.424 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 51: 51: Overriding nsteps with value passed on the command line: 2 steps, 0.00391 ps 51: Changing nstlist from 10 to 1, rlist from 1.041 to 1 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 2 steps, 0.0 ps. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.007 0.004 189.2 51: (ns/day) (hour/ns) 51: Performance: 87.995 0.273 51: [ OK ] GmxApiTest.ApiRunnerStopSignalClient (1387 ms) 51: [----------] 8 tests from GmxApiTest (6889 ms total) 51: 51: [----------] 1 test from GmxApiBasicTest 51: [ RUN ] GmxApiBasicTest.Status 51: [ OK ] GmxApiBasicTest.Status (0 ms) 51: [----------] 1 test from GmxApiBasicTest (0 ms total) 51: 51: [----------] Global test environment tear-down 51: [==========] 9 tests from 2 test cases ran. (6889 ms total) 51: [ PASSED ] 9 tests. 51/54 Test #51: GmxapiExternalInterfaceTests ........ Passed 7.11 sec test 52 Start 52: GmxapiMpiTests 52: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/gmxapi-mpi-test "-ntomp" "2" "-ntmpi" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/GmxapiMpiTests.xml" 52: Test timeout computed to be: 600 52: [==========] Running 9 tests from 2 test cases. 52: [----------] Global test environment set-up. 52: [----------] 8 tests from GmxApiTest 52: [ RUN ] GmxApiTest.ApiRunnerRestrainedMD 52: Setting the LD random seed to -1073907105 52: Generated 331705 of the 331705 non-bonded parameter combinations 52: Generating 1-4 interactions: fudge = 0.5 52: Generated 331705 of the 331705 1-4 parameter combinations 52: Excluding 2 bonded neighbours molecule type 'SOL' 52: Excluding 3 bonded neighbours molecule type 'methane' 52: 52: NOTE 1 [file spc_and_methane.top, line 33]: 52: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 52: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 52: the time step of 2.0e-03 ps. 52: Maybe you forgot to change the constraints mdp option. 52: 52: Number of degrees of freedom in T-Coupling group System is 18.00 52: 52: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerRestrainedMD_input.mdp]: 52: You are using a plain Coulomb cut-off, which might produce artifacts. 52: You might want to consider using PME electrostatics. 52: 52: 52: 52: There were 2 notes 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerRestrainedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 2 steps, 0.0 ps. 52: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 52: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 52: Note that mdrun will redetermine rlist based on the actual pair-list setup 52: This run will generate roughly 0 Mb of data 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.400 0.200 199.9 52: (ns/day) (hour/ns) 52: Performance: 2.529 9.489 52: [ OK ] GmxApiTest.ApiRunnerRestrainedMD (1994 ms) 52: [ RUN ] GmxApiTest.SystemConstruction 52: Setting the LD random seed to -278036993 52: Generated 331705 of the 331705 non-bonded parameter combinations 52: Generating 1-4 interactions: fudge = 0.5 52: Generated 331705 of the 331705 1-4 parameter combinations 52: Excluding 2 bonded neighbours molecule type 'SOL' 52: Excluding 3 bonded neighbours molecule type 'methane' 52: 52: NOTE 1 [file spc_and_methane.top, line 33]: 52: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 52: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 52: the time step of 2.0e-03 ps. 52: Maybe you forgot to change the constraints mdp option. 52: 52: Number of degrees of freedom in T-Coupling group System is 18.00 52: 52: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_SystemConstruction_input.mdp]: 52: You are using a plain Coulomb cut-off, which might produce artifacts. 52: You might want to consider using PME electrostatics. 52: 52: 52: 52: There were 2 notes 52: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 52: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 52: Note that mdrun will redetermine rlist based on the actual pair-list setup 52: This run will generate roughly 0 Mb of data 52: [ OK ] GmxApiTest.SystemConstruction (1400 ms) 52: [ RUN ] GmxApiTest.SaneVersionComparisons 52: [ OK ] GmxApiTest.SaneVersionComparisons (0 ms) 52: [ RUN ] GmxApiTest.VersionNamed0_1_Features 52: [ OK ] GmxApiTest.VersionNamed0_1_Features (0 ms) 52: [ RUN ] GmxApiTest.RunnerBasicMD 52: Setting the LD random seed to -86124545 52: Generated 331705 of the 331705 non-bonded parameter combinations 52: Generating 1-4 interactions: fudge = 0.5 52: Generated 331705 of the 331705 1-4 parameter combinations 52: Excluding 2 bonded neighbours molecule type 'SOL' 52: Excluding 3 bonded neighbours molecule type 'methane' 52: 52: NOTE 1 [file spc_and_methane.top, line 33]: 52: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 52: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 52: the time step of 2.0e-03 ps. 52: Maybe you forgot to change the constraints mdp option. 52: 52: Number of degrees of freedom in T-Coupling group System is 18.00 52: 52: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerBasicMD_input.mdp]: 52: You are using a plain Coulomb cut-off, which might produce artifacts. 52: You might want to consider using PME electrostatics. 52: 52: 52: 52: There were 2 notes 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerBasicMD.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 2 steps, 0.0 ps. 52: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 52: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 52: Note that mdrun will redetermine rlist based on the actual pair-list setup 52: This run will generate roughly 0 Mb of data 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.231 0.116 199.8 52: (ns/day) (hour/ns) 52: Performance: 4.376 5.484 52: [ OK ] GmxApiTest.RunnerBasicMD (1318 ms) 52: [ RUN ] GmxApiTest.RunnerReinitialize 52: Setting the LD random seed to -536870993 52: Generated 331705 of the 331705 non-bonded parameter combinations 52: Generating 1-4 interactions: fudge = 0.5 52: Generated 331705 of the 331705 1-4 parameter combinations 52: Excluding 2 bonded neighbours molecule type 'SOL' 52: Excluding 3 bonded neighbours molecule type 'methane' 52: 52: NOTE 1 [file spc_and_methane.top, line 33]: 52: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 52: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 52: the time step of 2.0e-03 ps. 52: Maybe you forgot to change the constraints mdp option. 52: 52: Number of degrees of freedom in T-Coupling group System is 18.00 52: 52: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize_input.mdp]: 52: You are using a plain Coulomb cut-off, which might produce artifacts. 52: You might want to consider using PME electrostatics. 52: 52: 52: 52: There were 2 notes 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 20 steps, 0.0 ps. 52: 52: 52: Received the remote INT/TERM signal, stopping within 50 steps 52: 52: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 52: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 52: Note that mdrun will redetermine rlist based on the actual pair-list setup 52: This run will generate roughly 0 Mb of data 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.207 0.104 199.8 52: (ns/day) (hour/ns) 52: Performance: 34.157 0.703 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 20 steps, 0.0 ps. 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.011 0.006 197.2 52: (ns/day) (hour/ns) 52: Performance: 643.695 0.037 52: [ OK ] GmxApiTest.RunnerReinitialize (1199 ms) 52: [ RUN ] GmxApiTest.RunnerContinuedMD 52: Setting the LD random seed to -1627395842 52: Generated 331705 of the 331705 non-bonded parameter combinations 52: Generating 1-4 interactions: fudge = 0.5 52: Generated 331705 of the 331705 1-4 parameter combinations 52: Excluding 2 bonded neighbours molecule type 'SOL' 52: Excluding 3 bonded neighbours molecule type 'methane' 52: 52: NOTE 1 [file spc_and_methane.top, line 33]: 52: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 52: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 52: the time step of 2.0e-03 ps. 52: Maybe you forgot to change the constraints mdp option. 52: 52: Number of degrees of freedom in T-Coupling group System is 18.00 52: 52: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD_input.mdp]: 52: You are using a plain Coulomb cut-off, which might produce artifacts. 52: You might want to consider using PME electrostatics. 52: 52: 52: 52: There were 2 notes 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 10 steps, 0.0 ps. 52: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 52: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 52: Note that mdrun will redetermine rlist based on the actual pair-list setup 52: This run will generate roughly 0 Mb of data 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.213 0.106 199.8 52: (ns/day) (hour/ns) 52: Performance: 17.438 1.376 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 52: 52: Overriding nsteps with value passed on the command line: 20 steps, 0.0391 ps 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.296 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 20 steps, 0.0 ps. 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.011 0.006 191.1 52: (ns/day) (hour/ns) 52: Performance: 620.220 0.039 52: [ OK ] GmxApiTest.RunnerContinuedMD (1302 ms) 52: [ RUN ] GmxApiTest.ApiRunnerStopSignalClient 52: Setting the LD random seed to -33882113 52: Generated 331705 of the 331705 non-bonded parameter combinations 52: Generating 1-4 interactions: fudge = 0.5 52: Generated 331705 of the 331705 1-4 parameter combinations 52: Excluding 2 bonded neighbours molecule type 'SOL' 52: Excluding 3 bonded neighbours molecule type 'methane' 52: 52: NOTE 1 [file spc_and_methane.top, line 33]: 52: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 52: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 52: the time step of 2.0e-03 ps. 52: Maybe you forgot to change the constraints mdp option. 52: 52: Number of degrees of freedom in T-Coupling group System is 18.00 52: 52: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient_input.mdp]: 52: You are using a plain Coulomb cut-off, which might produce artifacts. 52: You might want to consider using PME electrostatics. 52: 52: 52: 52: There were 2 notes 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 52: Changing nstlist from 10 to 1, rlist from 1.041 to 1 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 1 steps, 0.0 ps. 52: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 52: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 52: Note that mdrun will redetermine rlist based on the actual pair-list setup 52: This run will generate roughly 0 Mb of data 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.010 0.005 196.6 52: (ns/day) (hour/ns) 52: Performance: 66.195 0.363 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2020.6-Debian-2020.6-2 (single precision) 52: 52: Overriding nsteps with value passed on the command line: 2 steps, 0.00391 ps 52: Changing nstlist from 10 to 1, rlist from 1.041 to 1 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 2 steps, 0.0 ps. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.025 0.013 197.8 52: (ns/day) (hour/ns) 52: Performance: 26.688 0.899 52: [ OK ] GmxApiTest.ApiRunnerStopSignalClient (712 ms) 52: [----------] 8 tests from GmxApiTest (7925 ms total) 52: 52: [----------] 1 test from GmxApiBasicTest 52: [ RUN ] GmxApiBasicTest.Status 52: [ OK ] GmxApiBasicTest.Status (0 ms) 52: [----------] 1 test from GmxApiBasicTest (0 ms total) 52: 52: [----------] Global test environment tear-down 52: [==========] 9 tests from 2 test cases ran. (7925 ms total) 52: [ PASSED ] 9 tests. 52/54 Test #52: GmxapiMpiTests ...................... Passed 8.01 sec test 53 Start 53: GmxapiInternalInterfaceTests 53: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/workflow-details-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/GmxapiInternalInterfaceTests.xml" 53: Test timeout computed to be: 600 53: [==========] Running 2 tests from 1 test case. 53: [----------] Global test environment set-up. 53: [----------] 2 tests from GmxApiTest 53: [ RUN ] GmxApiTest.BuildApiWorkflowImpl 53: Setting the LD random seed to -1208422466 53: Generated 331705 of the 331705 non-bonded parameter combinations 53: Generating 1-4 interactions: fudge = 0.5 53: Generated 331705 of the 331705 1-4 parameter combinations 53: Excluding 2 bonded neighbours molecule type 'SOL' 53: Excluding 3 bonded neighbours molecule type 'methane' 53: 53: NOTE 1 [file spc_and_methane.top, line 33]: 53: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 53: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 53: the time step of 2.0e-03 ps. 53: Maybe you forgot to change the constraints mdp option. 53: 53: Number of degrees of freedom in T-Coupling group System is 18.00 53: 53: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/Testing/Temporary/GmxApiTest_BuildApiWorkflowImpl_input.mdp]: 53: You are using a plain Coulomb cut-off, which might produce artifacts. 53: You might want to consider using PME electrostatics. 53: 53: 53: 53: There were 2 notes 53: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 53: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 53: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 53: Note that mdrun will redetermine rlist based on the actual pair-list setup 53: This run will generate roughly 0 Mb of data 53: [ OK ] GmxApiTest.BuildApiWorkflowImpl (1274 ms) 53: [ RUN ] GmxApiTest.CreateApiWorkflow 53: Setting the LD random seed to -1610694674 53: Generated 331705 of the 331705 non-bonded parameter combinations 53: Generating 1-4 interactions: fudge = 0.5 53: Generated 331705 of the 331705 1-4 parameter combinations 53: Excluding 2 bonded neighbours molecule type 'SOL' 53: Excluding 3 bonded neighbours molecule type 'methane' 53: 53: NOTE 1 [file spc_and_methane.top, line 33]: 53: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 53: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 53: the time step of 2.0e-03 ps. 53: Maybe you forgot to change the constraints mdp option. 53: 53: Number of degrees of freedom in T-Coupling group System is 18.00 53: 53: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/Testing/Temporary/GmxApiTest_CreateApiWorkflow_input.mdp]: 53: You are using a plain Coulomb cut-off, which might produce artifacts. 53: You might want to consider using PME electrostatics. 53: 53: 53: 53: There were 2 notes 53: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 53: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 53: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 53: Note that mdrun will redetermine rlist based on the actual pair-list setup 53: This run will generate roughly 0 Mb of data 53: [ OK ] GmxApiTest.CreateApiWorkflow (1599 ms) 53: [----------] 2 tests from GmxApiTest (2873 ms total) 53: 53: [----------] Global test environment tear-down 53: [==========] 2 tests from 1 test case ran. (2873 ms total) 53: [ PASSED ] 2 tests. 53/54 Test #53: GmxapiInternalInterfaceTests ........ Passed 2.94 sec test 54 Start 54: GmxapiInternalsMpiTests 54: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/bin/workflow-details-mpi-test "-ntomp" "2" "-ntmpi" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/Testing/Temporary/GmxapiInternalsMpiTests.xml" 54: Test timeout computed to be: 600 54: [==========] Running 2 tests from 1 test case. 54: [----------] Global test environment set-up. 54: [----------] 2 tests from GmxApiTest 54: [ RUN ] GmxApiTest.BuildApiWorkflowImpl 54: Setting the LD random seed to -9998337 54: Generated 331705 of the 331705 non-bonded parameter combinations 54: Generating 1-4 interactions: fudge = 0.5 54: Generated 331705 of the 331705 1-4 parameter combinations 54: Excluding 2 bonded neighbours molecule type 'SOL' 54: Excluding 3 bonded neighbours molecule type 'methane' 54: 54: NOTE 1 [file spc_and_methane.top, line 33]: 54: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 54: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 54: the time step of 2.0e-03 ps. 54: Maybe you forgot to change the constraints mdp option. 54: 54: Number of degrees of freedom in T-Coupling group System is 18.00 54: 54: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/Testing/Temporary/GmxApiTest_BuildApiWorkflowImpl_input.mdp]: 54: You are using a plain Coulomb cut-off, which might produce artifacts. 54: You might want to consider using PME electrostatics. 54: 54: 54: 54: There were 2 notes 54: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 54: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 54: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 54: Note that mdrun will redetermine rlist based on the actual pair-list setup 54: This run will generate roughly 0 Mb of data 54: [ OK ] GmxApiTest.BuildApiWorkflowImpl (1285 ms) 54: [ RUN ] GmxApiTest.CreateApiWorkflow 54: Setting the LD random seed to -101605641 54: Generated 331705 of the 331705 non-bonded parameter combinations 54: Generating 1-4 interactions: fudge = 0.5 54: Generated 331705 of the 331705 1-4 parameter combinations 54: Excluding 2 bonded neighbours molecule type 'SOL' 54: Excluding 3 bonded neighbours molecule type 'methane' 54: 54: NOTE 1 [file spc_and_methane.top, line 33]: 54: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 54: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 54: the time step of 2.0e-03 ps. 54: Maybe you forgot to change the constraints mdp option. 54: 54: Number of degrees of freedom in T-Coupling group System is 18.00 54: 54: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic/src/api/cpp/workflow/tests/Testing/Temporary/GmxApiTest_CreateApiWorkflow_input.mdp]: 54: You are using a plain Coulomb cut-off, which might produce artifacts. 54: You might want to consider using PME electrostatics. 54: 54: 54: 54: There were 2 notes 54: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 54: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 54: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 54: Note that mdrun will redetermine rlist based on the actual pair-list setup 54: This run will generate roughly 0 Mb of data 54: [ OK ] GmxApiTest.CreateApiWorkflow (799 ms) 54: [----------] 2 tests from GmxApiTest (2084 ms total) 54: 54: [----------] Global test environment tear-down 54: [==========] 2 tests from 1 test case ran. (2084 ms total) 54: [ PASSED ] 2 tests. 54/54 Test #54: GmxapiInternalsMpiTests ............. Passed 2.30 sec 100% tests passed, 0 tests failed out of 54 Label Time Summary: GTest = 283.76 sec*proc (54 tests) IntegrationTest = 72.37 sec*proc (12 tests) MpiTest = 151.13 sec*proc (8 tests) SlowTest = 131.15 sec*proc (2 tests) UnitTest = 80.23 sec*proc (40 tests) Total Test time (real) = 285.50 sec /usr/bin/make -j4 -C build/basic-dp tests make[1]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/make -f CMakeFiles/Makefile2 tests make[2]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/CMakeFiles 76 /usr/bin/make -f CMakeFiles/Makefile2 CMakeFiles/tests.dir/all make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/CMakeFiles/release-version-info.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/gromacs-lj8Hdg/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/lmfit_objlib.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 0%] Built target lmfit_objlib [ 0%] Built target scanner /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 1%] Built target release-version-info /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 1%] Built target linearalgebra /usr/bin/make -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/thread_mpi.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color= [ 3%] Built target thread_mpi /usr/bin/make -f src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build.make src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/depend make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/tng_io_obj.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Nothing to be done for 'src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/external/googletest/googlemock/gtest /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/DependInfo.cmake --color= [ 3%] Built target vmddlopen [ 5%] Built target tng_io_obj /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 6%] Built target modularsimulator /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 6%] Built target mdrun_objlib make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color= Scanning dependencies of target gtest make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build.make src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/external/googletest/googlemock/gtest && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_CREATE_SHARED_LIBRARY=1 -Dgtest_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wshadow -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=c++14 -o CMakeFiles/gtest.dir/src/gtest-all.cc.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/src/gtest-all.cc make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/libgromacs.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 67%] Built target libgromacs /usr/bin/make -f src/api/cpp/CMakeFiles/gmxapi.dir/build.make src/api/cpp/CMakeFiles/gmxapi.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/CMakeFiles/gmxapi.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/api/cpp/CMakeFiles/gmxapi.dir/build.make src/api/cpp/CMakeFiles/gmxapi.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Nothing to be done for 'src/api/cpp/CMakeFiles/gmxapi.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 68%] Built target gmxapi cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/external/googletest/googlemock/gtest && /usr/bin/cmake -E cmake_link_script CMakeFiles/gtest.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libgtest.so -o ../../../../../lib/libgtest.so CMakeFiles/gtest.dir/src/gtest-all.cc.o -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 68%] Built target gtest /usr/bin/make -f src/external/googletest/googlemock/CMakeFiles/gmock.dir/build.make src/external/googletest/googlemock/CMakeFiles/gmock.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/external/googletest/googlemock /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/external/googletest/googlemock/CMakeFiles/gmock.dir/DependInfo.cmake --color= Scanning dependencies of target gmock make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/external/googletest/googlemock/CMakeFiles/gmock.dir/build.make src/external/googletest/googlemock/CMakeFiles/gmock.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/external/googletest/googlemock && /usr/bin/c++ -DGMX_DOUBLE=1 -DGTEST_CAN_STREAM_RESULTS=0 -DGTEST_CREATE_SHARED_LIBRARY=1 -D_GNU_SOURCE=1 -Dgmock_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wshadow -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -Wno-deprecated-copy -std=c++14 -o CMakeFiles/gmock.dir/src/gmock-all.cc.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/src/gmock-all.cc cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/external/googletest/googlemock && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmock.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libgmock.so -o ../../../../lib/libgmock.so CMakeFiles/gmock.dir/src/gmock-all.cc.o -lpthread ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 68%] Built target gmock /usr/bin/make -f src/testutils/CMakeFiles/testutils.dir/build.make src/testutils/CMakeFiles/testutils.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/CMakeFiles/testutils.dir/DependInfo.cmake --color= Scanning dependencies of target testutils make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/testutils/CMakeFiles/testutils.dir/build.make src/testutils/CMakeFiles/testutils.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/cmdlinetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/cmdlinetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/conftest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/conftest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/filematchers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/filematchers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/interactivetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/interactivetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/loggertest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/loggertest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/mpi_printer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/mpi_printer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/mpitest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/mpitest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/refdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/refdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/refdata_xml.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/refdata_xml.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/simulationdatabase.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/stdiohelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/stdiohelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/stringtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/stringtest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testasserts.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testasserts.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testfilemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testfilemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testfileredirector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testfileredirector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testinit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testinit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testmatchers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testmatchers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/textblockmatchers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/textblockmatchers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/tprfilegenerator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tprfilegenerator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/xvgtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/xvgtest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/__/external/tinyxml2/tinyxml2.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tinyxml2/tinyxml2.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/cmake -P CMakeFiles/testutils.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils.dir/link.txt --verbose=1 /usr/bin/ar qc ../../lib/libtestutils.a CMakeFiles/testutils.dir/cmdlinetest.cpp.o CMakeFiles/testutils.dir/conftest.cpp.o CMakeFiles/testutils.dir/filematchers.cpp.o CMakeFiles/testutils.dir/interactivetest.cpp.o CMakeFiles/testutils.dir/loggertest.cpp.o CMakeFiles/testutils.dir/mpi_printer.cpp.o CMakeFiles/testutils.dir/mpitest.cpp.o CMakeFiles/testutils.dir/refdata.cpp.o CMakeFiles/testutils.dir/refdata_xml.cpp.o CMakeFiles/testutils.dir/simulationdatabase.cpp.o CMakeFiles/testutils.dir/stdiohelper.cpp.o CMakeFiles/testutils.dir/stringtest.cpp.o CMakeFiles/testutils.dir/testasserts.cpp.o CMakeFiles/testutils.dir/testfilemanager.cpp.o CMakeFiles/testutils.dir/testfileredirector.cpp.o CMakeFiles/testutils.dir/testinit.cpp.o CMakeFiles/testutils.dir/testmatchers.cpp.o CMakeFiles/testutils.dir/testoptions.cpp.o CMakeFiles/testutils.dir/textblockmatchers.cpp.o CMakeFiles/testutils.dir/tprfilegenerator.cpp.o CMakeFiles/testutils.dir/xvgtest.cpp.o CMakeFiles/testutils.dir/__/external/tinyxml2/tinyxml2.cpp.o /usr/bin/ranlib ../../lib/libtestutils.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 69%] Built target testutils /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/depend /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/depend /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/depend /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests/CMakeFiles/testutils-test.dir/DependInfo.cmake --color= Scanning dependencies of target testutils-mpi-test Scanning dependencies of target utility-mpi-test Scanning dependencies of target testutils-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/mpitest.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/interactivetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/interactivetest.cpp Scanning dependencies of target mdrun_test_infrastructure make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun_test_infrastructure.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/energyreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-mpi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-mpi-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-mpi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-mpi-test ../../../lib/libtestutils.a ../../../lib/libgromacs_d.so.5.0.0 ../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 71%] Built target utility-mpi-test /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/depend cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/energycomparison.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/CMakeFiles/utility-test.dir/DependInfo.cmake --color= [ 71%] Built target testutils-mpi-test /usr/bin/make -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/DependInfo.cmake --color= Scanning dependencies of target utility-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/alignedallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/alignedallocator.cpp Scanning dependencies of target mdlib-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/calc_verletbuf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/refdata_tests.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/constr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/moduletest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/mdmodulenotification.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/mdmodulenotification.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/terminationhelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/trajectorycomparison.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/testasserts_tests.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/arrayref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/arrayref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/xvgtest_tests.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestrunners.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_test_infrastructure.dir/trajectoryreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/trajectoryreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/ebin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/ebin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-test.dir/interactivetest.cpp.o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-test ../../../lib/libtestutils.a ../../../lib/libgromacs_d.so.5.0.0 ../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 72%] Built target testutils-test /usr/bin/make -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/DependInfo.cmake --color= Scanning dependencies of target applied_forces-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfitting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -P CMakeFiles/mdrun_test_infrastructure.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun_test_infrastructure.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libmdrun_test_infrastructure.a CMakeFiles/mdrun_test_infrastructure.dir/energyreader.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/energycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/moduletest.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/mdmodulenotification.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/terminationhelper.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectorycomparison.cpp.o CMakeFiles/mdrun_test_infrastructure.dir/trajectoryreader.cpp.o /usr/bin/ranlib ../../../../lib/libmdrun_test_infrastructure.a cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/energyoutput.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 73%] Built target mdrun_test_infrastructure cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/expanded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/expanded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask32.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/bitmask32.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingamplitudelookup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/electricfield.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask64.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/bitmask64.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestrunners.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/settle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/applied_forces-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 73%] Built target applied_forces-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask128.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/bitmask128.cpp /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/DependInfo.cmake --color= Scanning dependencies of target onlinehelp-test-shared make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/mock_helptopic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/settletestdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/settletestrunners.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/cmake -P CMakeFiles/onlinehelp-test-shared.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libonlinehelp-test-shared.a CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o /usr/bin/ranlib ../../../../lib/libonlinehelp-test-shared.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 73%] Built target onlinehelp-test-shared /usr/bin/make -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/DependInfo.cmake --color= Scanning dependencies of target domdec-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/tests/hashedmap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/tests/localatomsetmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/shake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/shake.cpp /usr/bin/make -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/DependInfo.cmake --color= Scanning dependencies of target ewald-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmebsplinetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/domdec-test.dir/hashedmap.cpp.o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/domdec-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 73%] Built target domdec-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/cstringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/cstringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/simulationsignal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroups.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/updategroups.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmegathertest.cpp /usr/bin/make -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake --color= Scanning dependencies of target fft-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/fft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/tests/fft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/updategroupscog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlib-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o CMakeFiles/mdlib-test.dir/constr.cpp.o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o CMakeFiles/mdlib-test.dir/ebin.cpp.o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o CMakeFiles/mdlib-test.dir/expanded.cpp.o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o CMakeFiles/mdlib-test.dir/settle.cpp.o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o CMakeFiles/mdlib-test.dir/shake.cpp.o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o CMakeFiles/mdlib-test.dir/updategroups.cpp.o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdlib-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 75%] Built target mdlib-test /usr/bin/make -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/DependInfo.cmake --color= Scanning dependencies of target gpu_utils-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/gputest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/gputest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/clfftinitializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fft/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fft-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/fft-test.dir/fft.cpp.o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fft-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 76%] Built target fft-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/hostallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/defaultinitializationallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/devicetransfers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/enumerationhelpers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/fixedcapacityvector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmesolvetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmesplinespreadtest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/inmemoryserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreeserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmetestcommon.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreetransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/testhardwarecontexts.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/logger.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/logger.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/ewald/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/ewald-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/ewald-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 76%] Built target ewald-test /usr/bin/make -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/DependInfo.cmake --color= Scanning dependencies of target hardware-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/tests/hardwaretopology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/mutex.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/mutex.cpp /usr/bin/make -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/CMakeFiles/math-test.dir/DependInfo.cmake --color= Scanning dependencies of target math-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/arrayrefwithpadding.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/hardware/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/hardware-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/hardware-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 76%] Built target hardware-test /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/DependInfo.cmake --color= Scanning dependencies of target mdrunutility-test-shared make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinitytest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/path.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/path.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -P CMakeFiles/mdrunutility-test-shared.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test-shared.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libmdrunutility-test-shared.a CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o /usr/bin/ranlib ../../../../lib/libmdrunutility-test-shared.a cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/coordinatetransformation.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 76%] Built target mdrunutility-test-shared /usr/bin/make -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdspan-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/accessor_policy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gpu_utils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gpu_utils-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/gpu_utils-test.dir/gputest.cpp.o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gpu_utils-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 77%] Built target gpu_utils-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/stringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/stringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/densityfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extents.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/extents.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extensions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/extensions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/layouts.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/layouts.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/dofit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/dofit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/mdspan.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/mdspan.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/exponentialmovingaverage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/functions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/functions.cpp /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/DependInfo.cmake --color= Scanning dependencies of target onlinehelp-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/textreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/gausstransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/gausstransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpwritercontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdspan/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdspan-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o CMakeFiles/mdspan-test.dir/extents.cpp.o CMakeFiles/mdspan-test.dir/extensions.cpp.o CMakeFiles/mdspan-test.dir/layouts.cpp.o CMakeFiles/mdspan-test.dir/mdspan.cpp.o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdspan-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/textwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 77%] Built target mdspan-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/typetraits.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/typetraits.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfittingforce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/densityfittingforce.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/onlinehelp-test ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/invertmatrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/invertmatrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 77%] Built target onlinehelp-test /usr/bin/make -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/CMakeFiles/options-test.dir/DependInfo.cmake --color= Scanning dependencies of target options-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/abstractoptionstorage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-test.dir/alignedallocator.cpp.o CMakeFiles/utility-test.dir/arrayref.cpp.o CMakeFiles/utility-test.dir/bitmask32.cpp.o CMakeFiles/utility-test.dir/bitmask64.cpp.o CMakeFiles/utility-test.dir/bitmask128.cpp.o CMakeFiles/utility-test.dir/cstringutil.cpp.o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o CMakeFiles/utility-test.dir/logger.cpp.o CMakeFiles/utility-test.dir/mutex.cpp.o CMakeFiles/utility-test.dir/path.cpp.o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o CMakeFiles/utility-test.dir/stringutil.cpp.o CMakeFiles/utility-test.dir/textreader.cpp.o CMakeFiles/utility-test.dir/textwriter.cpp.o CMakeFiles/utility-test.dir/typetraits.cpp.o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread /usr/bin/make -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pbcutil/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/DependInfo.cmake --color= Scanning dependencies of target pbcutil-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/tests/pbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/matrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/matrix.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 78%] Built target utility-test /usr/bin/make -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/depend cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/tests/pbcenums.cpp make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/CMakeFiles/random-test.dir/DependInfo.cmake --color= Scanning dependencies of target random-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/exponentialdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/exponentialdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pbcutil/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pbcutil/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pbcutil-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/pbcutil-test.dir/pbc.cpp.o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pbcutil-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 78%] Built target pbcutil-test /usr/bin/make -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/DependInfo.cmake --color= Scanning dependencies of target restraintpotential-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/manager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/tests/manager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/gammadistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/gammadistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/multidimarray.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/multidimarray.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/restraintpotential-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/restraintpotential-test.dir/manager.cpp.o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/restraintpotential-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 78%] Built target restraintpotential-test /usr/bin/make -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests/CMakeFiles/table-test.dir/DependInfo.cmake --color= Scanning dependencies of target table-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/splinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/tests/splinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/normaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/normaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/filenameoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/paddedvector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/paddedvector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/seed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/seed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/tabulatednormaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/filenameoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/threefry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/threefry.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tables/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/table-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/table-test.dir/splinetable.cpp.o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/table-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/option.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/option.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 80%] Built target table-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/uniformintdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/optionsassigner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/optionsassigner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/vectypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/vectypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/uniformrealdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/random/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/random-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/random-test.dir/exponentialdistribution.cpp.o CMakeFiles/random-test.dir/gammadistribution.cpp.o CMakeFiles/random-test.dir/normaldistribution.cpp.o CMakeFiles/random-test.dir/seed.cpp.o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o CMakeFiles/random-test.dir/threefry.cpp.o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/random-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 80%] Built target random-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/DependInfo.cmake --color= Scanning dependencies of target taskassignment-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/tests/usergpuids.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests/CMakeFiles/topology-test.dir/DependInfo.cmake --color= Scanning dependencies of target topology-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/exclusionblocks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests/exclusionblocks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/repeatingsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/repeatingsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/math/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/math-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o CMakeFiles/math-test.dir/densityfit.cpp.o CMakeFiles/math-test.dir/dofit.cpp.o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o CMakeFiles/math-test.dir/functions.cpp.o CMakeFiles/math-test.dir/gausstransform.cpp.o CMakeFiles/math-test.dir/densityfittingforce.cpp.o CMakeFiles/math-test.dir/invertmatrix.cpp.o CMakeFiles/math-test.dir/matrix.cpp.o CMakeFiles/math-test.dir/multidimarray.cpp.o CMakeFiles/math-test.dir/paddedvector.cpp.o CMakeFiles/math-test.dir/vectypes.cpp.o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/math-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/mtop.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests/mtop.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 81%] Built target math-test /usr/bin/make -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/DependInfo.cmake --color= Scanning dependencies of target pull-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/pull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/tests/pull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/symtab.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests/symtab.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/taskassignment/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/taskassignment-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/taskassignment-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 81%] Built target taskassignment-test /usr/bin/make -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests/CMakeFiles/awh-test.dir/DependInfo.cmake --color= Scanning dependencies of target awh-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/bias.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests/bias.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/pulling/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pull-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/pull-test.dir/pull.cpp.o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pull-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 81%] Built target pull-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests/biasstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/timeunitmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/timeunitmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/topology-test.dir/exclusionblocks.cpp.o CMakeFiles/topology-test.dir/mtop.cpp.o CMakeFiles/topology-test.dir/symtab.cpp.o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/topology-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 81%] Built target topology-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/treesupport.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/treesupport.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/CMakeFiles/simd-test.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp Scanning dependencies of target simd-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/bootstrap_loadstore.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/base.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/base.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/awh-test.dir/bias.cpp.o CMakeFiles/awh-test.dir/biasstate.cpp.o CMakeFiles/awh-test.dir/grid.cpp.o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/awh-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 82%] Built target awh-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_vector_operations.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_math.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/options/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/options-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o CMakeFiles/options-test.dir/filenameoption.cpp.o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o CMakeFiles/options-test.dir/option.cpp.o CMakeFiles/options-test.dir/optionsassigner.cpp.o CMakeFiles/options-test.dir/repeatingsection.cpp.o CMakeFiles/options-test.dir/timeunitmanager.cpp.o CMakeFiles/options-test.dir/treesupport.cpp.o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/options-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 84%] Built target options-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_memory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_memory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_integer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_integer.cpp /usr/bin/make -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests/CMakeFiles/compat-test.dir/DependInfo.cmake --color= Scanning dependencies of target compat-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-unused-member-function -o CMakeFiles/compat-test.dir/optional.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests/optional.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests/pointers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4_floatingpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4_vector_operations.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_math.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4_math.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/scalar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/string_view.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests/string_view.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build.make src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/DependInfo.cmake --color= Scanning dependencies of target gmxana-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build.make src/gromacs/gmxana/tests/CMakeFiles/gmxana-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/entropy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/tests/entropy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/gmx_traj.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/tests/gmx_traj.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/scalar_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/tests/gmx_mindist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_math.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/scalar_math.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/gmx_msd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/tests/gmx_msd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxana/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/DependInfo.cmake --color= Scanning dependencies of target pdb2gmx3-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx3-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=1 -DCHARMM=1 -DGMX_DOUBLE=1 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxana-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxana-test.dir/entropy.cpp.o CMakeFiles/gmxana-test.dir/gmx_traj.cpp.o CMakeFiles/gmxana-test.dir/gmx_mindist.cpp.o CMakeFiles/gmxana-test.dir/gmx_msd.cpp.o CMakeFiles/gmxana-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gmxana-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 85%] Built target gmxana-test /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/depend cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/simd/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/simd-test.dir/link.txt --verbose=1 make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/DependInfo.cmake --color= /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o CMakeFiles/simd-test.dir/base.cpp.o CMakeFiles/simd-test.dir/simd.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd_math.cpp.o CMakeFiles/simd-test.dir/simd_memory.cpp.o CMakeFiles/simd-test.dir/simd_integer.cpp.o CMakeFiles/simd-test.dir/simd4.cpp.o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd4_math.cpp.o CMakeFiles/simd-test.dir/scalar.cpp.o CMakeFiles/simd-test.dir/scalar_util.cpp.o CMakeFiles/simd-test.dir/scalar_math.cpp.o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/simd-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread Scanning dependencies of target pdb2gmx2-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx2-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=1 -DGROMOS=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 86%] Built target simd-test /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/DependInfo.cmake --color= Scanning dependencies of target pdb2gmx1-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/pdb2gmx1-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=1 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/pdb2gmx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/compat/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/compat-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/compat-test.dir/optional.cpp.o CMakeFiles/compat-test.dir/pointers.cpp.o CMakeFiles/compat-test.dir/string_view.cpp.o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/compat-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 86%] Built target compat-test /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/DependInfo.cmake --color= Scanning dependencies of target gmxpreprocess-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build.make src/gromacs/gmxpreprocess/tests/CMakeFiles/gmxpreprocess-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/editconf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=1 -DCHARMM=1 -DGMX_DOUBLE=1 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx3-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx3-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx3-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx3-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=1 -DGROMOS=1 -DHAVE_CONFIG_H -DOPLSAA=0 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 88%] Built target pdb2gmx3-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/genconf.cpp /usr/bin/make -f src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/build.make src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/DependInfo.cmake --color= Scanning dependencies of target correlations-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/build.make src/gromacs/correlationfunctions/tests/CMakeFiles/correlations-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/autocorr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/tests/autocorr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx2-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx2-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx2-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx2-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DAMBER=0 -DCHARMM=0 -DGMX_DOUBLE=1 -DGROMOS=0 -DHAVE_CONFIG_H -DOPLSAA=1 -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 88%] Built target pdb2gmx2-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/tests/manyautocorrelation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdb2gmx1-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/pdb2gmx1-test.dir/pdb2gmx.cpp.o CMakeFiles/pdb2gmx1-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pdb2gmx1-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/genion.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/correlationdataset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/tests/correlationdataset.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 88%] Built target pdb2gmx1-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/expfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/tests/expfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/genrestr.cpp /usr/bin/make -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/DependInfo.cmake --color= Scanning dependencies of target analysisdata-test-shared make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test-shared.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/analysisdata-test-shared.dir/datatest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/datatest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/mock_datamodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/gpp_atomtype.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/correlationfunctions/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/correlationfunctions/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/correlations-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/correlations-test.dir/autocorr.cpp.o CMakeFiles/correlations-test.dir/manyautocorrelation.cpp.o CMakeFiles/correlations-test.dir/correlationdataset.cpp.o CMakeFiles/correlations-test.dir/expfit.cpp.o CMakeFiles/correlations-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/correlations-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/gpp_bond_atomtype.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 89%] Built target correlations-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/insert_molecules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/readir.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/solvate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/topdirs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/topdirs.cpp /usr/bin/make -f src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build.make src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/DependInfo.cmake --color= Scanning dependencies of target coordinateio-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build.make src/gromacs/coordinateio/tests/CMakeFiles/coordinateio-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/builder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/builder.cpp /usr/bin/make -f src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build.make src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/DependInfo.cmake --color= Scanning dependencies of target energyanalysis-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build.make src/gromacs/energyanalysis/tests/CMakeFiles/energyanalysis-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/energyanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/legacyenergy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gmxpreprocess/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxpreprocess-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxpreprocess-test.dir/editconf.cpp.o CMakeFiles/gmxpreprocess-test.dir/genconf.cpp.o CMakeFiles/gmxpreprocess-test.dir/genion.cpp.o CMakeFiles/gmxpreprocess-test.dir/genrestr.cpp.o CMakeFiles/gmxpreprocess-test.dir/gpp_atomtype.cpp.o CMakeFiles/gmxpreprocess-test.dir/gpp_bond_atomtype.cpp.o CMakeFiles/gmxpreprocess-test.dir/insert_molecules.cpp.o CMakeFiles/gmxpreprocess-test.dir/readir.cpp.o CMakeFiles/gmxpreprocess-test.dir/solvate.cpp.o CMakeFiles/gmxpreprocess-test.dir/topdirs.cpp.o CMakeFiles/gmxpreprocess-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gmxpreprocess-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/energyanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 89%] Built target gmxpreprocess-test /usr/bin/make -f src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build.make src/gromacs/tools/tests/CMakeFiles/tool-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/CMakeFiles/tool-test.dir/DependInfo.cmake --color= Scanning dependencies of target tool-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build.make src/gromacs/tools/tests/CMakeFiles/tool-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/dump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/tests/dump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/energyanalysis-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/energyanalysis-test.dir/legacyenergy.cpp.o CMakeFiles/energyanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/energyanalysis-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 89%] Built target energyanalysis-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/report_methods.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/tests/report_methods.cpp /usr/bin/make -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/outputadaptercontainer.cpp Scanning dependencies of target fileio-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/confio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/confio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/cmake -P CMakeFiles/analysisdata-test-shared.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/analysisdata-test-shared.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libanalysisdata-test-shared.a CMakeFiles/analysisdata-test-shared.dir/datatest.cpp.o CMakeFiles/analysisdata-test-shared.dir/mock_datamodule.cpp.o /usr/bin/ranlib ../../../../lib/libanalysisdata-test-shared.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 89%] Built target analysisdata-test-shared /usr/bin/make -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/CMakeFiles/selection-test.dir/DependInfo.cmake --color= Scanning dependencies of target selection-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/indexutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/indexutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/outputadapters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/trjconv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/tests/trjconv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/filemd5.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/filemd5.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/mrcserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tools/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/tool-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/tool-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/tool-test.dir/dump.cpp.o CMakeFiles/tool-test.dir/report_methods.cpp.o CMakeFiles/tool-test.dir/trjconv.cpp.o CMakeFiles/tool-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/tool-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 89%] Built target tool-test /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun-modules-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-modules-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/densityfittingmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/nbsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/nbsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/interactiveMD.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymapheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/mimic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/requirements.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/requirements.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-modules-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-modules-test.dir/densityfittingmodule.cpp.o CMakeFiles/mdrun-modules-test.dir/interactiveMD.cpp.o CMakeFiles/mdrun-modules-test.dir/mimic.cpp.o CMakeFiles/mdrun-modules-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-modules-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/poscalc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/poscalc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/readinp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/readinp.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 90%] Built target mdrun-modules-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/setatoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/setatoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectioncollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/selectioncollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/setbothtime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/fileioxdrserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectionoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/selectionoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/tngio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/tngio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/setstarttime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/fileio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileio-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/fileio-test.dir/confio.cpp.o CMakeFiles/fileio-test.dir/filemd5.cpp.o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o CMakeFiles/fileio-test.dir/readinp.cpp.o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o CMakeFiles/fileio-test.dir/tngio.cpp.o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fileio-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/settimestep.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/settimestep.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 90%] Built target fileio-test /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun-tpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-tpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/tpitest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/testmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/tests/testmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/coordinateio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/coordinateio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/coordinateio-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/coordinateio-test.dir/builder.cpp.o CMakeFiles/coordinateio-test.dir/outputadaptercontainer.cpp.o CMakeFiles/coordinateio-test.dir/outputadapters.cpp.o CMakeFiles/coordinateio-test.dir/requirements.cpp.o CMakeFiles/coordinateio-test.dir/setatoms.cpp.o CMakeFiles/coordinateio-test.dir/setbothtime.cpp.o CMakeFiles/coordinateio-test.dir/setstarttime.cpp.o CMakeFiles/coordinateio-test.dir/settimestep.cpp.o CMakeFiles/coordinateio-test.dir/testmodule.cpp.o CMakeFiles/coordinateio-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/coordinateio-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 90%] Built target coordinateio-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/toputils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/toputils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-tpi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-tpi-test.dir/tpitest.cpp.o CMakeFiles/mdrun-tpi-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-tpi-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 90%] Built target mdrun-tpi-test /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/dispersion_correction.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/dispersion_correction.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/orires.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/orires.cpp Scanning dependencies of target mdrun-output-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-output-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/compressed_x_output.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/pmetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/pmetest.cpp /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun-non-integrator-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-non-integrator-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/minimize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/minimize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/helpwriting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/simulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/simulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/outputfiles.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/selection-test.dir/indexutil.cpp.o CMakeFiles/selection-test.dir/nbsearch.cpp.o CMakeFiles/selection-test.dir/poscalc.cpp.o CMakeFiles/selection-test.dir/selectioncollection.cpp.o CMakeFiles/selection-test.dir/selectionoption.cpp.o CMakeFiles/selection-test.dir/toputils.cpp.o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/selection-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 ../../../../lib/libgmock.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 92%] Built target selection-test /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/domain_decomposition.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/nonbonded_bench.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/minimize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/minimize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/normalmodes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/trajectory_writing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/swapcoords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/swapcoords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/tabulated_bonded_interactions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-output-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-output-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-output-test.dir/compressed_x_output.cpp.o CMakeFiles/mdrun-output-test.dir/helpwriting.cpp.o CMakeFiles/mdrun-output-test.dir/outputfiles.cpp.o CMakeFiles/mdrun-output-test.dir/trajectory_writing.cpp.o CMakeFiles/mdrun-output-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-output-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 92%] Built target mdrun-output-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/mimic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/rerun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-test.dir/dispersion_correction.cpp.o CMakeFiles/mdrun-test.dir/orires.cpp.o CMakeFiles/mdrun-test.dir/pmetest.cpp.o CMakeFiles/mdrun-test.dir/simulator.cpp.o CMakeFiles/mdrun-test.dir/swapcoords.cpp.o CMakeFiles/mdrun-test.dir/tabulated_bonded_interactions.cpp.o CMakeFiles/mdrun-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/multisim.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/multisim.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 93%] Built target mdrun-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/multisimtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/multisimtest.cpp /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun-io-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-io-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/exactcontinuation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/grompp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/grompp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/pmetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/pmetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/replicaexchange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/replicaexchange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/simple_mdrun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/initialconstraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-mpi-test.dir/domain_decomposition.cpp.o CMakeFiles/mdrun-mpi-test.dir/minimize.cpp.o CMakeFiles/mdrun-mpi-test.dir/mimic.cpp.o CMakeFiles/mdrun-mpi-test.dir/multisim.cpp.o CMakeFiles/mdrun-mpi-test.dir/multisimtest.cpp.o CMakeFiles/mdrun-mpi-test.dir/pmetest.cpp.o CMakeFiles/mdrun-mpi-test.dir/replicaexchange.cpp.o CMakeFiles/mdrun-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 94%] Built target mdrun-mpi-test /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/DependInfo.cmake --color= /usr/bin/make -f src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/build.make src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/depend Scanning dependencies of target mdrun-mpi-coordination-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/build.make src/programs/mdrun/tests/CMakeFiles/mdrun-mpi-coordination-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-coordination-test.dir/periodicactions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/periodicactions.cpp Scanning dependencies of target gmxapi-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/build.make src/api/cpp/tests/CMakeFiles/gmxapi-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/restraint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/termination.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/tests/termination.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/status.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-non-integrator-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-non-integrator-test.dir/minimize.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/nonbonded_bench.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/normalmodes.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/rerun.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/simple_mdrun.cpp.o CMakeFiles/mdrun-non-integrator-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-non-integrator-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/system.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/system.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 94%] Built target mdrun-non-integrator-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/version.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/programs/mdrun/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun-mpi-coordination-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-io-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-io-test.dir/exactcontinuation.cpp.o CMakeFiles/mdrun-io-test.dir/grompp.cpp.o CMakeFiles/mdrun-io-test.dir/initialconstraints.cpp.o CMakeFiles/mdrun-io-test.dir/termination.cpp.o CMakeFiles/mdrun-io-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-io-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/runner.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 94%] Built target mdrun-io-test /usr/bin/make -f src/api/cpp/tests/CMakeFiles/gmxapi-test.dir/build.make src/api/cpp/tests/CMakeFiles/gmxapi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/CMakeFiles/gmxapi-test.dir/DependInfo.cmake --color= Scanning dependencies of target gmxapi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/api/cpp/tests/CMakeFiles/gmxapi-test.dir/build.make src/api/cpp/tests/CMakeFiles/gmxapi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/restraint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/restraint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun-mpi-coordination-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun-mpi-coordination-test.dir/periodicactions.cpp.o CMakeFiles/mdrun-mpi-coordination-test.dir/__/__/__/testutils/unittest_main.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/mdrun-mpi-coordination-test ../../../../lib/libtestutils.a ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-mpi-test.dir/stopsignaler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/stopsignaler.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 94%] Built target mdrun-mpi-coordination-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/status.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/status.cpp /usr/bin/make -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/workflow/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/DependInfo.cmake --color= Scanning dependencies of target workflow-details-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-mpi-test.dir/workflow.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/workflow/tests/workflow.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/system.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/system.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/version.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/version.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-mpi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxapi-mpi-test.dir/restraint.cpp.o CMakeFiles/gmxapi-mpi-test.dir/status.cpp.o CMakeFiles/gmxapi-mpi-test.dir/system.cpp.o CMakeFiles/gmxapi-mpi-test.dir/version.cpp.o CMakeFiles/gmxapi-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o CMakeFiles/gmxapi-mpi-test.dir/runner.cpp.o CMakeFiles/gmxapi-mpi-test.dir/stopsignaler.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-mpi-test ../../../../lib/libtestutils.a ../../../../lib/libgmxapi_d.so.0.1.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-mpi-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 94%] Built target gmxapi-mpi-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/runner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/runner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/tests/stopsignaler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-mpi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/workflow-details-mpi-test.dir/workflow.cpp.o CMakeFiles/workflow-details-mpi-test.dir/__/__/__/__/testutils/unittest_main.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-mpi-test ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi_d.so.0.1.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../../lib/libgmock.so ../../../../../lib/libgtest.so -lpthread /usr/bin/make -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/workflow/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/DependInfo.cmake --color= Scanning dependencies of target workflow-details-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build.make src/api/cpp/workflow/tests/CMakeFiles/workflow-details-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-test.dir/workflow.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/workflow/tests/workflow.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 94%] Built target workflow-details-mpi-test /usr/bin/make -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/DependInfo.cmake --color= Scanning dependencies of target commandline-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/api/cpp/workflow/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/api/cpp -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/workflow-details-test.dir/__/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmxapi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/gmxapi-test.dir/restraint.cpp.o CMakeFiles/gmxapi-test.dir/status.cpp.o CMakeFiles/gmxapi-test.dir/system.cpp.o CMakeFiles/gmxapi-test.dir/version.cpp.o CMakeFiles/gmxapi-test.dir/__/__/__/testutils/unittest_main.cpp.o CMakeFiles/gmxapi-test.dir/runner.cpp.o CMakeFiles/gmxapi-test.dir/stopsignaler.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../bin/gmxapi-test ../../../../lib/libtestutils.a ../../../../lib/libgmxapi_d.so.0.1.0 ../../../../lib/libmdrun_test_infrastructure.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/workflow-details-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/workflow-details-test.dir/workflow.cpp.o CMakeFiles/workflow-details-test.dir/__/__/__/__/testutils/unittest_main.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o ../../../../programs/CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../../../../bin/workflow-details-test ../../../../../lib/libtestutils.a ../../../../../lib/libgmxapi_d.so.0.1.0 ../../../../../lib/libmdrun_test_infrastructure.a ../../../../../lib/libtestutils.a ../../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../../lib/libgmock.so ../../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 96%] Built target gmxapi-test /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrunutility-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity_mpi.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 97%] Built target workflow-details-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanagertest.cpp /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrunutility-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-mpi-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-mpi-test ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 97%] Built target mdrunutility-mpi-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-test ../../../../lib/libtestutils.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread /usr/bin/make -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/DependInfo.cmake --color= Scanning dependencies of target analysisdata-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build.make src/gromacs/analysisdata/tests/CMakeFiles/analysisdata-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/analysisdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/analysisdata.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 97%] Built target mdrunutility-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/arraydata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/arraydata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/average.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/average.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineprogramcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/filenm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/filenm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/pargs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/pargs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/histogram.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/histogram.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/lifetime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/tests/lifetime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/build.make src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/DependInfo.cmake --color= Scanning dependencies of target trajectoryanalysis-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/build.make src/gromacs/trajectoryanalysis/tests/CMakeFiles/trajectoryanalysis-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/moduletest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/commandline/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/commandline-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o CMakeFiles/commandline-test.dir/filenm.cpp.o CMakeFiles/commandline-test.dir/pargs.cpp.o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/commandline-test ../../../../lib/libtestutils.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 98%] Built target commandline-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/analysisdata/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/clustsize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/cmdlinerunner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/cmdlinerunner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/angle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/angle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/analysisdata/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/analysisdata-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/analysisdata-test.dir/analysisdata.cpp.o CMakeFiles/analysisdata-test.dir/arraydata.cpp.o CMakeFiles/analysisdata-test.dir/average.cpp.o CMakeFiles/analysisdata-test.dir/histogram.cpp.o CMakeFiles/analysisdata-test.dir/lifetime.cpp.o CMakeFiles/analysisdata-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/analysisdata-test ../../../../lib/libtestutils.a ../../../../lib/libanalysisdata-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [ 98%] Built target analysisdata-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/convert_trj.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/convert_trj.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/distance.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/distance.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/extract_cluster.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/extract_cluster.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/pairdist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/pairdist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/rdf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/rdf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/sasa.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/sasa.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/select.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/select.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/surfacearea.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/surfacearea.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/topologyinformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/topologyinformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/trajectory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/trajectory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/unionfind.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/c++ -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/trajectoryanalysis/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/trajectoryanalysis-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/trajectoryanalysis-test.dir/moduletest.cpp.o CMakeFiles/trajectoryanalysis-test.dir/clustsize.cpp.o CMakeFiles/trajectoryanalysis-test.dir/cmdlinerunner.cpp.o CMakeFiles/trajectoryanalysis-test.dir/angle.cpp.o CMakeFiles/trajectoryanalysis-test.dir/convert_trj.cpp.o CMakeFiles/trajectoryanalysis-test.dir/distance.cpp.o CMakeFiles/trajectoryanalysis-test.dir/extract_cluster.cpp.o CMakeFiles/trajectoryanalysis-test.dir/freevolume.cpp.o CMakeFiles/trajectoryanalysis-test.dir/pairdist.cpp.o CMakeFiles/trajectoryanalysis-test.dir/rdf.cpp.o CMakeFiles/trajectoryanalysis-test.dir/sasa.cpp.o CMakeFiles/trajectoryanalysis-test.dir/select.cpp.o CMakeFiles/trajectoryanalysis-test.dir/surfacearea.cpp.o CMakeFiles/trajectoryanalysis-test.dir/topologyinformation.cpp.o CMakeFiles/trajectoryanalysis-test.dir/trajectory.cpp.o CMakeFiles/trajectoryanalysis-test.dir/unionfind.cpp.o CMakeFiles/trajectoryanalysis-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/trajectoryanalysis-test ../../../../lib/libtestutils.a ../../../../lib/libanalysisdata-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_d.so.5.0.0 -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.so ../../../../lib/libgtest.so -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [100%] Built target trajectoryanalysis-test /usr/bin/make -f CMakeFiles/tests.dir/build.make CMakeFiles/tests.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/CMakeFiles/tests.dir/DependInfo.cmake --color= Scanning dependencies of target tests make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/make -f CMakeFiles/tests.dir/build.make CMakeFiles/tests.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[4]: Nothing to be done for 'CMakeFiles/tests.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' [100%] Built target tests make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/CMakeFiles 0 make[2]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' make[1]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp' (cd build/basic-dp; LD_LIBRARY_PATH=/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/lib ctest -V || dpkg-architecture -i hurd-i386 || dpkg-architecture -i i386 ) UpdateCTestConfiguration from :/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/DartConfiguration.tcl Parse Config file:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/DartConfiguration.tcl UpdateCTestConfiguration from :/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/DartConfiguration.tcl Parse Config file:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/DartConfiguration.tcl Test project /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp Constructing a list of tests Done constructing a list of tests Updating test list for fixtures Added 0 tests to meet fixture requirements Checking test dependency graph... Checking test dependency graph end test 1 Start 1: TestUtilsUnitTests 1: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/testutils-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/TestUtilsUnitTests.xml" 1: Test timeout computed to be: 30 1: [==========] Running 59 tests from 5 test cases. 1: [----------] Global test environment set-up. 1: [----------] 10 tests from InteractiveTestHelperTest 1: [ RUN ] InteractiveTestHelperTest.ChecksSimpleSession 1: [ OK ] InteractiveTestHelperTest.ChecksSimpleSession (1 ms) 1: [ RUN ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline 1: [ OK ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline (1 ms) 1: [ RUN ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput 1: [ OK ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput (0 ms) 1: [ RUN ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput 1: [ OK ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsIncorrectOutput 1: [ OK ] InteractiveTestHelperTest.DetectsIncorrectOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsMissingOutput 1: [ OK ] InteractiveTestHelperTest.DetectsMissingOutput (0 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsMissingFinalOutput 1: [ OK ] InteractiveTestHelperTest.DetectsMissingFinalOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsExtraOutput 1: [ OK ] InteractiveTestHelperTest.DetectsExtraOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsMissingInput 1: [ OK ] InteractiveTestHelperTest.DetectsMissingInput (0 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsExtraInput 1: [ OK ] InteractiveTestHelperTest.DetectsExtraInput (1 ms) 1: [----------] 10 tests from InteractiveTestHelperTest (7 ms total) 1: 1: [----------] 34 tests from ReferenceDataTest 1: [ RUN ] ReferenceDataTest.HandlesSimpleData 1: [ OK ] ReferenceDataTest.HandlesSimpleData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesFloatingPointData 1: [ OK ] ReferenceDataTest.HandlesFloatingPointData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesPresenceChecks 1: [ OK ] ReferenceDataTest.HandlesPresenceChecks (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesStringBlockData 1: [ OK ] ReferenceDataTest.HandlesStringBlockData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesVectorData 1: [ OK ] ReferenceDataTest.HandlesVectorData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSequenceData 1: [ OK ] ReferenceDataTest.HandlesSequenceData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSequenceOfCustomData 1: [ OK ] ReferenceDataTest.HandlesSequenceOfCustomData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesIncorrectData 1: [ OK ] ReferenceDataTest.HandlesIncorrectData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesIncorrectDataType 1: [ OK ] ReferenceDataTest.HandlesIncorrectDataType (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesMissingData 1: [ OK ] ReferenceDataTest.HandlesMissingData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUncheckedData 1: [ OK ] ReferenceDataTest.HandlesUncheckedData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUncheckedDataInSequence 1: [ OK ] ReferenceDataTest.HandlesUncheckedDataInSequence (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUncheckedDataInCompound 1: [ OK ] ReferenceDataTest.HandlesUncheckedDataInCompound (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesAnys 1: [ OK ] ReferenceDataTest.HandlesAnys (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesKeyValueTree 1: [ OK ] ReferenceDataTest.HandlesKeyValueTree (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesKeyValueTreeExtraKey 1: [ OK ] ReferenceDataTest.HandlesKeyValueTreeExtraKey (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesKeyValueTreeMissingKey 1: [ OK ] ReferenceDataTest.HandlesKeyValueTreeMissingKey (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesAnysWithIncorrectValue 1: [ OK ] ReferenceDataTest.HandlesAnysWithIncorrectValue (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesAnysWithIncorrectType 1: [ OK ] ReferenceDataTest.HandlesAnysWithIncorrectType (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesMissingReferenceDataFile 1: [ OK ] ReferenceDataTest.HandlesMissingReferenceDataFile (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSpecialCharactersInStrings 1: [ OK ] ReferenceDataTest.HandlesSpecialCharactersInStrings (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace 1: [ OK ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesEmptyStrings 1: [ OK ] ReferenceDataTest.HandlesEmptyStrings (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesEmbeddedCdataEndTagInTextBlock 1: [ OK ] ReferenceDataTest.HandlesEmbeddedCdataEndTagInTextBlock (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSequenceItemIndices 1: [ OK ] ReferenceDataTest.HandlesSequenceItemIndices (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesMultipleChecksAgainstSameData 1: [ OK ] ReferenceDataTest.HandlesMultipleChecksAgainstSameData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesMultipleNullIds 1: [ OK ] ReferenceDataTest.HandlesMultipleNullIds (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds 1: [ OK ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesReadingValues 1: [ OK ] ReferenceDataTest.HandlesReadingValues (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithoutChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithoutChanges (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries (1 ms) 1: [----------] 34 tests from ReferenceDataTest (15 ms total) 1: 1: [----------] 7 tests from FloatingPointDifferenceTest 1: [ RUN ] FloatingPointDifferenceTest.HandlesEqualValues 1: [ OK ] FloatingPointDifferenceTest.HandlesEqualValues (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesFloatValues 1: [ OK ] FloatingPointDifferenceTest.HandlesFloatValues (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesZerosOfDifferentSign 1: [ OK ] FloatingPointDifferenceTest.HandlesZerosOfDifferentSign (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesSignComparisonWithZero 1: [ OK ] FloatingPointDifferenceTest.HandlesSignComparisonWithZero (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesUlpDifferences 1: [ OK ] FloatingPointDifferenceTest.HandlesUlpDifferences (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesUlpDifferenceAcrossZero 1: [ OK ] FloatingPointDifferenceTest.HandlesUlpDifferenceAcrossZero (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesNaN 1: [ OK ] FloatingPointDifferenceTest.HandlesNaN (0 ms) 1: [----------] 7 tests from FloatingPointDifferenceTest (0 ms total) 1: 1: [----------] 4 tests from FloatingPointToleranceTest 1: [ RUN ] FloatingPointToleranceTest.UlpTolerance 1: [ OK ] FloatingPointToleranceTest.UlpTolerance (0 ms) 1: [ RUN ] FloatingPointToleranceTest.RelativeToleranceAsFloatingPoint 1: [ OK ] FloatingPointToleranceTest.RelativeToleranceAsFloatingPoint (0 ms) 1: [ RUN ] FloatingPointToleranceTest.RelativeToleranceAsUlp 1: [ OK ] FloatingPointToleranceTest.RelativeToleranceAsUlp (0 ms) 1: [ RUN ] FloatingPointToleranceTest.DefaultFloatTolerance 1: [ OK ] FloatingPointToleranceTest.DefaultFloatTolerance (0 ms) 1: [----------] 4 tests from FloatingPointToleranceTest (0 ms total) 1: 1: [----------] 4 tests from XvgTests 1: [ RUN ] XvgTests.CreateFile 1: [ OK ] XvgTests.CreateFile (1 ms) 1: [ RUN ] XvgTests.CheckMissing 1: [ OK ] XvgTests.CheckMissing (1 ms) 1: [ RUN ] XvgTests.CheckExtra 1: [ OK ] XvgTests.CheckExtra (1 ms) 1: [ RUN ] XvgTests.ReadIncorrect 1: [ OK ] XvgTests.ReadIncorrect (1 ms) 1: [----------] 4 tests from XvgTests (4 ms total) 1: 1: [----------] Global test environment tear-down 1: [==========] 59 tests from 5 test cases ran. (26 ms total) 1: [ PASSED ] 59 tests. 1/54 Test #1: TestUtilsUnitTests .................. Passed 0.28 sec test 2 Start 2: TestUtilsMpiUnitTests 2: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/testutils-mpi-test "-ntmpi" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/TestUtilsMpiUnitTests.xml" 2: Test timeout computed to be: 30 2: [==========] Running 1 test from 1 test case. 2: [----------] Global test environment set-up. 2: [----------] 1 test from MpiSelfTest 2: [ RUN ] MpiSelfTest.Runs 2: [ OK ] MpiSelfTest.Runs (0 ms) 2: [----------] 1 test from MpiSelfTest (0 ms total) 2: 2: [----------] Global test environment tear-down 2: [==========] 1 test from 1 test case ran. (0 ms total) 2: [ PASSED ] 1 test. 2/54 Test #2: TestUtilsMpiUnitTests ............... Passed 0.03 sec test 3 Start 3: UtilityUnitTests 3: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/utility-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/UtilityUnitTests.xml" 3: Test timeout computed to be: 30 3: [==========] Running 347 tests from 56 test cases. 3: [----------] Global test environment set-up. 3: [----------] 5 tests from AllocatorTest/0, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/0.Move 3: [ OK ] AllocatorTest/0.Move (0 ms) 3: [ RUN ] AllocatorTest/0.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/0.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/0 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/1, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/1.Move 3: [ OK ] AllocatorTest/1.Move (0 ms) 3: [ RUN ] AllocatorTest/1.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/1.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/1 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/2, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/2.Move 3: [ OK ] AllocatorTest/2.Move (0 ms) 3: [ RUN ] AllocatorTest/2.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/2.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/2 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/3, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/3.Move 3: [ OK ] AllocatorTest/3.Move (0 ms) 3: [ RUN ] AllocatorTest/3.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/3.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/3 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/4, where TypeParam = gmx::Allocator, gmx::AlignedAllocationPolicy> 3: [ RUN ] AllocatorTest/4.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/4.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/4.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/4.VectorAllocatesAndResizesWithAlignment (1 ms) 3: [ RUN ] AllocatorTest/4.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/4.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/4.Move 3: [ OK ] AllocatorTest/4.Move (0 ms) 3: [ RUN ] AllocatorTest/4.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/4.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/4 (1 ms total) 3: 3: [----------] 5 tests from AllocatorTest/5, where TypeParam = gmx::Allocator, gmx::PageAlignedAllocationPolicy> 3: [ RUN ] AllocatorTest/5.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/5.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/5.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/5.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/5.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/5.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/5.Move 3: [ OK ] AllocatorTest/5.Move (0 ms) 3: [ RUN ] AllocatorTest/5.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/5.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/5 (0 ms total) 3: 3: [----------] 1 test from AllocatorUntypedTest 3: [ RUN ] AllocatorUntypedTest.Comparison 3: [ OK ] AllocatorUntypedTest.Comparison (0 ms) 3: [----------] 1 test from AllocatorUntypedTest (0 ms total) 3: 3: [----------] 1 test from EmptyArrayRefTest 3: [ RUN ] EmptyArrayRefTest.IsEmpty 3: [ OK ] EmptyArrayRefTest.IsEmpty (0 ms) 3: [----------] 1 test from EmptyArrayRefTest (0 ms total) 3: 3: [----------] 1 test from EmptyConstArrayRefTest 3: [ RUN ] EmptyConstArrayRefTest.IsEmpty 3: [ OK ] EmptyConstArrayRefTest.IsEmpty (0 ms) 3: [----------] 1 test from EmptyConstArrayRefTest (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/0, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/0.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/0.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/0.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/0.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/0.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/0.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/0.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/0.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/0.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/0.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/0 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/1, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/1.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/1.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/1.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/1.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/1.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/1.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/1.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/1.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/1.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/1.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/1 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/2, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/2.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/2.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/2.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/2.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/2.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/2.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/2.ConstructFromNonConstPointersWorks (1 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/2.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/2.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/2.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/2 (1 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/3, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/3.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/3.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/3.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/3.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/3.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/3.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/3.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/3.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/3.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/3.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/3 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/4, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/4.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/4.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/4.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/4.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/4.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/4.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/4.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/4.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/4.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/4.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/4 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/5, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/5.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/5.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/5.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/5.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/5.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/5.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/5.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/5.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/5.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/5.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/5 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/6, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/6.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/6.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/6.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/6.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/6.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/6.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/6.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/6.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/6.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/6.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/6 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/7, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/7.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/7.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/7.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/7.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/7.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/7.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/7.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/7.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/7.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/7.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/7 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/8, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/8.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/8.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/8.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/8.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/8.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/8.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/8.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/8.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/8.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/8.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/8 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/9, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/9.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/9.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/9.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/9.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/9.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/9.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/9.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/9.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/9.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/9.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/9 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/10, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/10.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/10.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/10.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/10.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/10.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/10.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/10.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/10.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/10.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/10.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/10 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/11, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/11.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/11.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/11.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/11.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/11.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/11.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/11.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/11.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/11.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/11.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/11 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/12, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/12.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/12.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/12.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/12.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/12.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/12.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/12.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/12.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/12.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/12.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/12 (1 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/13, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/13.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/13.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/13.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/13.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/13.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/13.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/13.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/13.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/13.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/13.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/13 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/14, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/14.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/14.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/14.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/14.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/14.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/14.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/14.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/14.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/14.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/14.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/14 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/15, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/15.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/15.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/15.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/15.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/15.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/15.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/15.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/15.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/15.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/15.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/15 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/16, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/16.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/16.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/16.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/16.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/16.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/16.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/16.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/16.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/16.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/16.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/16 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/17, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/17.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/17.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/17.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/17.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/17.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/17.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/17.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/17.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/17.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/17.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/17 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/18, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/18.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/18.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/18.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/18.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/18.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/18.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/18.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/18.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/18.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/18.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/18 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/19, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/19.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/19.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/19.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/19.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/19.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/19.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/19.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/19.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/19.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/19.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/19 (0 ms total) 3: 3: [----------] 2 tests from CStringUtilityTest 3: [ RUN ] CStringUtilityTest.CaseInsensitiveComparison 3: [ OK ] CStringUtilityTest.CaseInsensitiveComparison (0 ms) 3: [ RUN ] CStringUtilityTest.CaseInsensitiveComparisonInLength 3: [ OK ] CStringUtilityTest.CaseInsensitiveComparisonInLength (0 ms) 3: [----------] 2 tests from CStringUtilityTest (0 ms total) 3: 3: [----------] 2 tests from DefaultInitializationAllocator 3: [ RUN ] DefaultInitializationAllocator.PerformsValueInitialization 3: [ OK ] DefaultInitializationAllocator.PerformsValueInitialization (0 ms) 3: [ RUN ] DefaultInitializationAllocator.PerformsNoInitialization 3: [ OK ] DefaultInitializationAllocator.PerformsNoInitialization (0 ms) 3: [----------] 2 tests from DefaultInitializationAllocator (0 ms total) 3: 3: [----------] 4 tests from EnumerationHelpersTest 3: [ RUN ] EnumerationHelpersTest.EnumerationWrapperWorks 3: [ OK ] EnumerationHelpersTest.EnumerationWrapperWorks (0 ms) 3: [ RUN ] EnumerationHelpersTest.EnumerationArrayWorks 3: [ OK ] EnumerationHelpersTest.EnumerationArrayWorks (0 ms) 3: [ RUN ] EnumerationHelpersTest.EnumerationArrayCountIsSafe 3: [ OK ] EnumerationHelpersTest.EnumerationArrayCountIsSafe (0 ms) 3: [ RUN ] EnumerationHelpersTest.ArrayRefOfEnumerationArrayWorks 3: [ OK ] EnumerationHelpersTest.ArrayRefOfEnumerationArrayWorks (0 ms) 3: [----------] 4 tests from EnumerationHelpersTest (0 ms total) 3: 3: [----------] 9 tests from FixedCapacityVectorTest 3: [ RUN ] FixedCapacityVectorTest.IsEmpty 3: [ OK ] FixedCapacityVectorTest.IsEmpty (0 ms) 3: [ RUN ] FixedCapacityVectorTest.PushWorks 3: [ OK ] FixedCapacityVectorTest.PushWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.PopWorks 3: [ OK ] FixedCapacityVectorTest.PopWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.ClearWorks 3: [ OK ] FixedCapacityVectorTest.ClearWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.EmplaceBackWorks 3: [ OK ] FixedCapacityVectorTest.EmplaceBackWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.AtThrows 3: [ OK ] FixedCapacityVectorTest.AtThrows (0 ms) 3: [ RUN ] FixedCapacityVectorTest.IteratorWorks 3: [ OK ] FixedCapacityVectorTest.IteratorWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.ReverseIteratorWorks 3: [ OK ] FixedCapacityVectorTest.ReverseIteratorWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.ZeroCapacityWorks 3: [ OK ] FixedCapacityVectorTest.ZeroCapacityWorks (0 ms) 3: [----------] 9 tests from FixedCapacityVectorTest (0 ms total) 3: 3: [----------] 5 tests from InMemorySerializerTest 3: [ RUN ] InMemorySerializerTest.Roundtrip 3: [ OK ] InMemorySerializerTest.Roundtrip (0 ms) 3: [ RUN ] InMemorySerializerTest.RoundtripWithEndianessSwap 3: [ OK ] InMemorySerializerTest.RoundtripWithEndianessSwap (0 ms) 3: [ RUN ] InMemorySerializerTest.SerializerExplicitEndianessSwap 3: [ OK ] InMemorySerializerTest.SerializerExplicitEndianessSwap (0 ms) 3: [ RUN ] InMemorySerializerTest.DeserializerExplicitEndianessSwap 3: [ OK ] InMemorySerializerTest.DeserializerExplicitEndianessSwap (0 ms) 3: [ RUN ] InMemorySerializerTest.SizeIsCorrect 3: [ OK ] InMemorySerializerTest.SizeIsCorrect (0 ms) 3: [----------] 5 tests from InMemorySerializerTest (0 ms total) 3: 3: [----------] 4 tests from KeyValueTreeSerializerTest 3: [ RUN ] KeyValueTreeSerializerTest.EmptyTree 3: [ OK ] KeyValueTreeSerializerTest.EmptyTree (7 ms) 3: [ RUN ] KeyValueTreeSerializerTest.SimpleObject 3: [ OK ] KeyValueTreeSerializerTest.SimpleObject (15 ms) 3: [ RUN ] KeyValueTreeSerializerTest.ObjectWithArrays 3: [ OK ] KeyValueTreeSerializerTest.ObjectWithArrays (4 ms) 3: [ RUN ] KeyValueTreeSerializerTest.ObjectWithObjects 3: [ OK ] KeyValueTreeSerializerTest.ObjectWithObjects (5 ms) 3: [----------] 4 tests from KeyValueTreeSerializerTest (31 ms total) 3: 3: [----------] 6 tests from TreeValueTransformTest 3: [ RUN ] TreeValueTransformTest.SimpleTransforms 3: [ OK ] TreeValueTransformTest.SimpleTransforms (1 ms) 3: [ RUN ] TreeValueTransformTest.SimpleTransformsCaseAndDashInsensitive 3: [ OK ] TreeValueTransformTest.SimpleTransformsCaseAndDashInsensitive (5 ms) 3: [ RUN ] TreeValueTransformTest.SimpleTransformsToObject 3: [ OK ] TreeValueTransformTest.SimpleTransformsToObject (4 ms) 3: [ RUN ] TreeValueTransformTest.ObjectFromString 3: [ OK ] TreeValueTransformTest.ObjectFromString (0 ms) 3: [ RUN ] TreeValueTransformTest.ObjectFromMultipleStrings 3: [ OK ] TreeValueTransformTest.ObjectFromMultipleStrings (6 ms) 3: [ RUN ] TreeValueTransformTest.ScopedTransformRules 3: [ OK ] TreeValueTransformTest.ScopedTransformRules (4 ms) 3: [----------] 6 tests from TreeValueTransformTest (20 ms total) 3: 3: [----------] 1 test from TreeValueTransformErrorTest 3: [ RUN ] TreeValueTransformErrorTest.ConversionError 3: [ OK ] TreeValueTransformErrorTest.ConversionError (0 ms) 3: [----------] 1 test from TreeValueTransformErrorTest (0 ms total) 3: 3: [----------] 7 tests from LoggerTest 3: [ RUN ] LoggerTest.EmptyLoggerWorks 3: [ OK ] LoggerTest.EmptyLoggerWorks (6 ms) 3: [ RUN ] LoggerTest.LogsToStream 3: [ OK ] LoggerTest.LogsToStream (0 ms) 3: [ RUN ] LoggerTest.LogsToFile 3: [ OK ] LoggerTest.LogsToFile (18 ms) 3: [ RUN ] LoggerTest.LevelFilteringWorks 3: [ OK ] LoggerTest.LevelFilteringWorks (0 ms) 3: [ RUN ] LoggerTest.LogsToMultipleStreams 3: [ OK ] LoggerTest.LogsToMultipleStreams (0 ms) 3: [ RUN ] LoggerTest.LogsToMultipleFiles 3: [ OK ] LoggerTest.LogsToMultipleFiles (1 ms) 3: [ RUN ] LoggerTest.LogsToStreamAndFile 3: [ OK ] LoggerTest.LogsToStreamAndFile (0 ms) 3: [----------] 7 tests from LoggerTest (25 ms total) 3: 3: [----------] 4 tests from MutexBasicTest 3: [ RUN ] MutexBasicTest.CanBeMade 3: [ OK ] MutexBasicTest.CanBeMade (0 ms) 3: [ RUN ] MutexBasicTest.CanBeLocked 3: [ OK ] MutexBasicTest.CanBeLocked (0 ms) 3: [ RUN ] MutexBasicTest.CanBeTryLocked 3: [ OK ] MutexBasicTest.CanBeTryLocked (1 ms) 3: [ RUN ] MutexBasicTest.CanBeUsedInLockGuard 3: [ OK ] MutexBasicTest.CanBeUsedInLockGuard (0 ms) 3: [----------] 4 tests from MutexBasicTest (1 ms total) 3: 3: [----------] 3 tests from MutexTaskTest 3: [ RUN ] MutexTaskTest.MutualExclusionWorksWithLock 3: [ OK ] MutexTaskTest.MutualExclusionWorksWithLock (0 ms) 3: [ RUN ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread 3: [ OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread (0 ms) 3: [ RUN ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread 3: [ OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread (0 ms) 3: [----------] 3 tests from MutexTaskTest (0 ms total) 3: 3: [----------] 2 tests from PathTest 3: [ RUN ] PathTest.StripSourcePrefixWorks 3: [ OK ] PathTest.StripSourcePrefixWorks (0 ms) 3: [ RUN ] PathTest.SearchOperationsWork 3: [ OK ] PathTest.SearchOperationsWork (1 ms) 3: [----------] 2 tests from PathTest (1 ms total) 3: 3: [----------] 2 tests from PhysicalNodeCommunicatorTest 3: [ RUN ] PhysicalNodeCommunicatorTest.CanConstruct 3: [ OK ] PhysicalNodeCommunicatorTest.CanConstruct (0 ms) 3: [ RUN ] PhysicalNodeCommunicatorTest.CanCallBarrier 3: [ OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (0 ms) 3: [----------] 2 tests from PhysicalNodeCommunicatorTest (0 ms total) 3: 3: [----------] 9 tests from StringUtilityTest 3: [ RUN ] StringUtilityTest.StartsWith 3: [ OK ] StringUtilityTest.StartsWith (0 ms) 3: [ RUN ] StringUtilityTest.EndsWith 3: [ OK ] StringUtilityTest.EndsWith (0 ms) 3: [ RUN ] StringUtilityTest.StripSuffixIfPresent 3: [ OK ] StringUtilityTest.StripSuffixIfPresent (0 ms) 3: [ RUN ] StringUtilityTest.StripString 3: [ OK ] StringUtilityTest.StripString (0 ms) 3: [ RUN ] StringUtilityTest.SplitString 3: [ OK ] StringUtilityTest.SplitString (0 ms) 3: [ RUN ] StringUtilityTest.SplitDelimitedString 3: [ OK ] StringUtilityTest.SplitDelimitedString (0 ms) 3: [ RUN ] StringUtilityTest.SplitAndTrimDelimitedString 3: [ OK ] StringUtilityTest.SplitAndTrimDelimitedString (1 ms) 3: [ RUN ] StringUtilityTest.CanCompareCaseInsensitive 3: [ OK ] StringUtilityTest.CanCompareCaseInsensitive (0 ms) 3: [ RUN ] StringUtilityTest.CanCompareCaseInsensitiveInLength 3: [ OK ] StringUtilityTest.CanCompareCaseInsensitiveInLength (0 ms) 3: [----------] 9 tests from StringUtilityTest (1 ms total) 3: 3: [----------] 2 tests from FormatStringTest 3: [ RUN ] FormatStringTest.HandlesBasicFormatting 3: [ OK ] FormatStringTest.HandlesBasicFormatting (0 ms) 3: [ RUN ] FormatStringTest.HandlesLongStrings 3: [ OK ] FormatStringTest.HandlesLongStrings (0 ms) 3: [----------] 2 tests from FormatStringTest (0 ms total) 3: 3: [----------] 1 test from StringFormatterTest 3: [ RUN ] StringFormatterTest.HandlesBasicFormatting 3: [ OK ] StringFormatterTest.HandlesBasicFormatting (0 ms) 3: [----------] 1 test from StringFormatterTest (0 ms total) 3: 3: [----------] 1 test from formatAndJoinTest 3: [ RUN ] formatAndJoinTest.Works 3: [ OK ] formatAndJoinTest.Works (0 ms) 3: [----------] 1 test from formatAndJoinTest (0 ms total) 3: 3: [----------] 1 test from JoinStringsTest 3: [ RUN ] JoinStringsTest.Works 3: [ OK ] JoinStringsTest.Works (0 ms) 3: [----------] 1 test from JoinStringsTest (0 ms total) 3: 3: [----------] 6 tests from ReplaceAllTest 3: [ RUN ] ReplaceAllTest.HandlesEmptyStrings 3: [ OK ] ReplaceAllTest.HandlesEmptyStrings (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesNoMatches 3: [ OK ] ReplaceAllTest.HandlesNoMatches (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesMatchesAtEnds 3: [ OK ] ReplaceAllTest.HandlesMatchesAtEnds (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesMultipleMatches 3: [ OK ] ReplaceAllTest.HandlesMultipleMatches (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesWordBoundaries 3: [ OK ] ReplaceAllTest.HandlesWordBoundaries (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesPossibleRecursiveMatches 3: [ OK ] ReplaceAllTest.HandlesPossibleRecursiveMatches (0 ms) 3: [----------] 6 tests from ReplaceAllTest (0 ms total) 3: 3: [----------] 10 tests from TextLineWrapperTest 3: [ RUN ] TextLineWrapperTest.HandlesEmptyStrings 3: [ OK ] TextLineWrapperTest.HandlesEmptyStrings (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesTrailingWhitespace 3: [ OK ] TextLineWrapperTest.HandlesTrailingWhitespace (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesTrailingNewlines 3: [ OK ] TextLineWrapperTest.HandlesTrailingNewlines (0 ms) 3: [ RUN ] TextLineWrapperTest.WrapsCorrectly 3: [ OK ] TextLineWrapperTest.WrapsCorrectly (0 ms) 3: [ RUN ] TextLineWrapperTest.WrapsCorrectlyWithExistingBreaks 3: [ OK ] TextLineWrapperTest.WrapsCorrectlyWithExistingBreaks (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesIndent 3: [ OK ] TextLineWrapperTest.HandlesIndent (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesIndentWithEmptyLines 3: [ OK ] TextLineWrapperTest.HandlesIndentWithEmptyLines (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesHangingIndent 3: [ OK ] TextLineWrapperTest.HandlesHangingIndent (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesContinuationCharacter 3: [ OK ] TextLineWrapperTest.HandlesContinuationCharacter (0 ms) 3: [ RUN ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace 3: [ OK ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace (0 ms) 3: [----------] 10 tests from TextLineWrapperTest (1 ms total) 3: 3: [----------] 6 tests from TextWriterTest 3: [ RUN ] TextWriterTest.WritesLines 3: [ OK ] TextWriterTest.WritesLines (0 ms) 3: [ RUN ] TextWriterTest.WritesLinesInParts 3: [ OK ] TextWriterTest.WritesLinesInParts (0 ms) 3: [ RUN ] TextWriterTest.WritesWrappedLines 3: [ OK ] TextWriterTest.WritesWrappedLines (0 ms) 3: [ RUN ] TextWriterTest.WritesLinesInPartsWithWrapper 3: [ OK ] TextWriterTest.WritesLinesInPartsWithWrapper (0 ms) 3: [ RUN ] TextWriterTest.TracksNewlines 3: [ OK ] TextWriterTest.TracksNewlines (0 ms) 3: [ RUN ] TextWriterTest.PreservesTrailingWhitespace 3: [ OK ] TextWriterTest.PreservesTrailingWhitespace (0 ms) 3: [----------] 6 tests from TextWriterTest (1 ms total) 3: 3: [----------] 1 test from TypeTraitsTest 3: [ RUN ] TypeTraitsTest.IsIntegralConstant 3: [ OK ] TypeTraitsTest.IsIntegralConstant (0 ms) 3: [----------] 1 test from TypeTraitsTest (0 ms total) 3: 3: [----------] 6 tests from BitmaskTest32_11/BitmaskTest32 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.SetAndClear/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.SetAndClear/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.InitBit/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.InitBit/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.InitLowBits/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.InitLowBits/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.Disjoint/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.Disjoint/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.Union/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.Union/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.ToHex/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.ToHex/0 (0 ms) 3: [----------] 6 tests from BitmaskTest32_11/BitmaskTest32 (0 ms total) 3: 3: [----------] 12 tests from BitmaskTest64_10_42/BitmaskTest64 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitBit/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitBit/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitBit/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitBit/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Union/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Union/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Union/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Union/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.ToHex/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.ToHex/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.ToHex/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.ToHex/1 (0 ms) 3: [----------] 12 tests from BitmaskTest64_10_42/BitmaskTest64 (0 ms total) 3: 3: [----------] 12 tests from BitmaskTest128_9_78/BitmaskTest128 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitBit/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitBit/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitBit/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitBit/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Union/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Union/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Union/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Union/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.ToHex/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.ToHex/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.ToHex/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.ToHex/1 (0 ms) 3: [----------] 12 tests from BitmaskTest128_9_78/BitmaskTest128 (0 ms total) 3: 3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2 (0 ms) 3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest (1 ms total) 3: 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/0 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/0 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/1 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/1 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/2 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/2 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/3 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/3 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/4 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/4 (1 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/5 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/5 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/6 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/6 (0 ms) 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest (1 ms total) 3: 3: [----------] Global test environment tear-down 3: [==========] 347 tests from 56 test cases ran. (86 ms total) 3: [ PASSED ] 347 tests. 3/54 Test #3: UtilityUnitTests .................... Passed 0.13 sec test 4 Start 4: UtilityMpiUnitTests 4: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/utility-mpi-test "-ntmpi" "4" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/UtilityMpiUnitTests.xml" 4: Test timeout computed to be: 30 4: [==========] Running 2 tests from 1 test case. 4: [----------] Global test environment set-up. 4: [----------] 2 tests from PhysicalNodeCommunicatorTest 4: [ RUN ] PhysicalNodeCommunicatorTest.CanConstruct 4: [ OK ] PhysicalNodeCommunicatorTest.CanConstruct (0 ms) 4: [ RUN ] PhysicalNodeCommunicatorTest.CanCallBarrier 4: [ OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (1 ms) 4: [----------] 2 tests from PhysicalNodeCommunicatorTest (1 ms total) 4: 4: [----------] Global test environment tear-down 4: [==========] 2 tests from 1 test case ran. (1 ms total) 4: [ PASSED ] 2 tests. 4/54 Test #4: UtilityMpiUnitTests ................. Passed 0.02 sec test 5 Start 5: MdlibUnitTest 5: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/mdlib-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MdlibUnitTest.xml" 5: Test timeout computed to be: 30 5: [==========] Running 187 tests from 13 test cases. 5: [----------] Global test environment set-up. 5: [----------] 1 test from VerletBufferConstraintTest 5: [ RUN ] VerletBufferConstraintTest.EqualMasses 5: [ OK ] VerletBufferConstraintTest.EqualMasses (0 ms) 5: [----------] 1 test from VerletBufferConstraintTest (0 ms total) 5: 5: [----------] 2 tests from PrEbinTest 5: [ RUN ] PrEbinTest.HandlesAverages 5: [ OK ] PrEbinTest.HandlesAverages (12 ms) 5: [ RUN ] PrEbinTest.HandlesEmptyAverages 5: [ OK ] PrEbinTest.HandlesEmptyAverages (0 ms) 5: [----------] 2 tests from PrEbinTest (12 ms total) 5: 5: [----------] 4 tests from ShakeTest 5: [ RUN ] ShakeTest.ConstrainsOneBond 5: [ OK ] ShakeTest.ConstrainsOneBond (0 ms) 5: [ RUN ] ShakeTest.ConstrainsTwoDisjointBonds 5: [ OK ] ShakeTest.ConstrainsTwoDisjointBonds (0 ms) 5: [ RUN ] ShakeTest.ConstrainsTwoBondsWithACommonAtom 5: [ OK ] ShakeTest.ConstrainsTwoBondsWithACommonAtom (0 ms) 5: [ RUN ] ShakeTest.ConstrainsThreeBondsWithCommonAtoms 5: [ OK ] ShakeTest.ConstrainsThreeBondsWithCommonAtoms (0 ms) 5: [----------] 4 tests from ShakeTest (0 ms total) 5: 5: [----------] 1 test from NullSignalTest 5: [ RUN ] NullSignalTest.NullSignallerWorks 5: [ OK ] NullSignalTest.NullSignallerWorks (0 ms) 5: [----------] 1 test from NullSignalTest (0 ms total) 5: 5: [----------] 7 tests from SignalTest 5: [ RUN ] SignalTest.NoSignalPropagatesIfNoSignallingTakesPlace 5: [ OK ] SignalTest.NoSignalPropagatesIfNoSignallingTakesPlace (0 ms) 5: [ RUN ] SignalTest.LocalIntraSimSignalPropagatesWhenIntraSimSignalTakesPlace 5: [ OK ] SignalTest.LocalIntraSimSignalPropagatesWhenIntraSimSignalTakesPlace (0 ms) 5: [ RUN ] SignalTest.LocalIntraSimSignalPropagatesWhenInterSimTakesPlace 5: [ OK ] SignalTest.LocalIntraSimSignalPropagatesWhenInterSimTakesPlace (0 ms) 5: [ RUN ] SignalTest.LocalIntraSimSignalPropagatesWhenBothTakePlace 5: [ OK ] SignalTest.LocalIntraSimSignalPropagatesWhenBothTakePlace (0 ms) 5: [ RUN ] SignalTest.NonLocalSignalDoesntPropagateWhenIntraSimSignalTakesPlace 5: [ OK ] SignalTest.NonLocalSignalDoesntPropagateWhenIntraSimSignalTakesPlace (0 ms) 5: [ RUN ] SignalTest.NonLocalSignalPropagatesWhenInterSimSignalTakesPlace 5: [ OK ] SignalTest.NonLocalSignalPropagatesWhenInterSimSignalTakesPlace (0 ms) 5: [ RUN ] SignalTest.NonLocalSignalPropagatesWhenBothTakePlace 5: [ OK ] SignalTest.NonLocalSignalPropagatesWhenBothTakePlace (0 ms) 5: [----------] 7 tests from SignalTest (0 ms total) 5: 5: [----------] 9 tests from UpdateGroups 5: [ RUN ] UpdateGroups.ethaneUA 5: [ OK ] UpdateGroups.ethaneUA (0 ms) 5: [ RUN ] UpdateGroups.methane 5: [ OK ] UpdateGroups.methane (1 ms) 5: [ RUN ] UpdateGroups.ethane 5: [ OK ] UpdateGroups.ethane (0 ms) 5: [ RUN ] UpdateGroups.butaneUA 5: [ OK ] UpdateGroups.butaneUA (0 ms) 5: [ RUN ] UpdateGroups.waterThreeSite 5: [ OK ] UpdateGroups.waterThreeSite (0 ms) 5: [ RUN ] UpdateGroups.waterFourSite 5: [ OK ] UpdateGroups.waterFourSite (0 ms) 5: [ RUN ] UpdateGroups.fourAtomsWithSettle 5: [ OK ] UpdateGroups.fourAtomsWithSettle (0 ms) 5: [ RUN ] UpdateGroups.waterFlexAngle 5: [ OK ] UpdateGroups.waterFlexAngle (0 ms) 5: [ RUN ] UpdateGroups.twoMoltypes 5: [ OK ] UpdateGroups.twoMoltypes (0 ms) 5: [----------] 9 tests from UpdateGroups (1 ms total) 5: 5: [----------] 1 test from UpdateGroupsCog 5: [ RUN ] UpdateGroupsCog.ComputesCogs 5: [ OK ] UpdateGroupsCog.ComputesCogs (14 ms) 5: [----------] 1 test from UpdateGroupsCog (14 ms total) 5: 5: [----------] 84 tests from WithParameters/ConstraintsTest 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/0 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/1 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/2 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/3 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/8 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/9 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/10 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/11 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/0 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/1 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/2 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/3 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/4 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/5 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/6 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/7 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/8 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/9 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/9 (1 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/10 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/11 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/12 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/12 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/13 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/13 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/14 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/14 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/15 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/15 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/8 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/9 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/10 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/11 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/12 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/12 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/13 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/13 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/14 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/14 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/15 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/15 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/16 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/16 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/17 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/17 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/18 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/18 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/19 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/19 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/8 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/9 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/10 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/11 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/12 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/12 (1 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/13 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/13 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/14 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/14 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/15 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/15 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/16 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/16 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/17 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/17 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/18 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/18 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/19 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/19 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/20 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/20 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/21 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/21 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/22 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/22 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/23 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/23 (0 ms) 5: [----------] 84 tests from WithParameters/ConstraintsTest (4 ms total) 5: 5: [----------] 11 tests from WithParameters/EnergyOutputTest 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/0 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_0.edr as double precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (6 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/1 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_1.edr as double precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (6 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/2 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_2.edr as double precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (2 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/3 5: [ OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (1 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/4 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_4.edr as double precision energy file 5: Reading energy frame 0 time 10.100 Reading energy frame 1 time 27.500 Reading energy frame 2 time 44.900 Reading energy frame 3 time 62.300 Reading energy frame 4 time 79.700 Reading energy frame 5 time 97.100 Reading energy frame 6 time 114.500 Reading energy frame 7 time 131.900 Reading energy frame 8 time 149.300 Reading energy frame 9 time 166.700 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (23 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/5 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_5.edr as double precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (13 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/6 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_6.edr as double precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (7 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/7 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_7.edr as double precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (2 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/8 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_8.edr as double precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (7 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/9 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_9.edr as double precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (1 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/10 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_10.edr as double precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (10 ms) 5: [----------] 11 tests from WithParameters/EnergyOutputTest (82 ms total) 5: 5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/1 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/1 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/2 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/2 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/3 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/3 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/4 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/4 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/5 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/5 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/6 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/6 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/7 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/7 (1 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/0 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/0 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/1 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/1 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/2 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/2 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/3 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/3 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/4 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/4 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/5 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/5 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/6 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/6 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/7 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/7 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/0 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/0 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/1 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/1 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/2 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/2 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/3 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/3 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/4 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/4 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/5 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/5 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/6 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/6 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/7 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/7 (0 ms) 5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple (1 ms total) 5: 5: [----------] 14 tests from RegressionTests/CalculateAcceptanceWeightRangeRegression 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/0 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/0 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/1 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/1 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/2 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/2 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/3 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/3 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/4 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/4 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/5 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/5 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/6 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/6 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/7 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/7 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/8 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/8 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/9 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/9 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/10 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/10 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/11 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/11 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/12 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/12 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/13 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/13 (0 ms) 5: [----------] 14 tests from RegressionTests/CalculateAcceptanceWeightRangeRegression (0 ms total) 5: 5: [----------] 16 tests from WithParameters/LeapFrogTest 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/0 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/0 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/1 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/1 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/2 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/2 (1 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/3 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/3 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/4 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/4 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/5 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (4 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/6 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (17 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/7 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/7 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/8 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/8 (1 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/9 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/9 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/10 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (2 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/11 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/11 (2 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/12 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/12 (2 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/13 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (2 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/14 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (37 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/15 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (3 ms) 5: [----------] 16 tests from WithParameters/LeapFrogTest (73 ms total) 5: 5: [----------] 13 tests from WithParameters/SettleTest 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/0 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/0 (0 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/1 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/1 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/2 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/2 (0 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/3 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/3 (0 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/4 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/4 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/5 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/5 (0 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/6 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/6 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/7 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/7 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/8 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/8 (14 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/9 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/9 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/10 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/10 (0 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/11 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (5 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/12 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (1 ms) 5: [----------] 13 tests from WithParameters/SettleTest (25 ms total) 5: 5: [----------] Global test environment tear-down 5: [==========] 187 tests from 13 test cases ran. (213 ms total) 5: [ PASSED ] 187 tests. 5/54 Test #5: MdlibUnitTest ....................... Passed 0.24 sec test 6 Start 6: AppliedForcesUnitTest 6: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/applied_forces-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/AppliedForcesUnitTest.xml" 6: Test timeout computed to be: 30 6: [==========] Running 20 tests from 4 test cases. 6: [----------] Global test environment set-up. 6: [----------] 2 tests from DensityFittingTest 6: [ RUN ] DensityFittingTest.ForceProviderLackingInputThrows 6: [ OK ] DensityFittingTest.ForceProviderLackingInputThrows (1 ms) 6: [ RUN ] DensityFittingTest.SingleAtom 6: [ OK ] DensityFittingTest.SingleAtom (1 ms) 6: [----------] 2 tests from DensityFittingTest (2 ms total) 6: 6: [----------] 8 tests from DensityFittingOptionsTest 6: [ RUN ] DensityFittingOptionsTest.DefaultParameters 6: [ OK ] DensityFittingOptionsTest.DefaultParameters (0 ms) 6: [ RUN ] DensityFittingOptionsTest.OptionSetsActive 6: [ OK ] DensityFittingOptionsTest.OptionSetsActive (0 ms) 6: [ RUN ] DensityFittingOptionsTest.OutputNoDefaultValuesWhenInactive 6: [ OK ] DensityFittingOptionsTest.OutputNoDefaultValuesWhenInactive (0 ms) 6: [ RUN ] DensityFittingOptionsTest.OutputDefaultValuesWhenActive 6: [ OK ] DensityFittingOptionsTest.OutputDefaultValuesWhenActive (0 ms) 6: [ RUN ] DensityFittingOptionsTest.CanConvertGroupStringToIndexGroup 6: [ OK ] DensityFittingOptionsTest.CanConvertGroupStringToIndexGroup (0 ms) 6: [ RUN ] DensityFittingOptionsTest.InternalsToKvt 6: [ OK ] DensityFittingOptionsTest.InternalsToKvt (0 ms) 6: [ RUN ] DensityFittingOptionsTest.KvtToInternal 6: [ OK ] DensityFittingOptionsTest.KvtToInternal (0 ms) 6: [ RUN ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent 6: [ OK ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent (1 ms) 6: [----------] 8 tests from DensityFittingOptionsTest (1 ms total) 6: 6: [----------] 7 tests from DensityFittingAmplitudeLookupTest 6: [ RUN ] DensityFittingAmplitudeLookupTest.Unity 6: [ OK ] DensityFittingAmplitudeLookupTest.Unity (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.Charge 6: [ OK ] DensityFittingAmplitudeLookupTest.Charge (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.Masses 6: [ OK ] DensityFittingAmplitudeLookupTest.Masses (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanCopyAssign 6: [ OK ] DensityFittingAmplitudeLookupTest.CanCopyAssign (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanCopyConstruct 6: [ OK ] DensityFittingAmplitudeLookupTest.CanCopyConstruct (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanMoveAssign 6: [ OK ] DensityFittingAmplitudeLookupTest.CanMoveAssign (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanMoveConstruct 6: [ OK ] DensityFittingAmplitudeLookupTest.CanMoveConstruct (0 ms) 6: [----------] 7 tests from DensityFittingAmplitudeLookupTest (0 ms total) 6: 6: [----------] 3 tests from ElectricFieldTest 6: [ RUN ] ElectricFieldTest.Static 6: [ OK ] ElectricFieldTest.Static (14 ms) 6: [ RUN ] ElectricFieldTest.Oscillating 6: [ OK ] ElectricFieldTest.Oscillating (0 ms) 6: [ RUN ] ElectricFieldTest.Pulsed 6: [ OK ] ElectricFieldTest.Pulsed (0 ms) 6: [----------] 3 tests from ElectricFieldTest (14 ms total) 6: 6: [----------] Global test environment tear-down 6: [==========] 20 tests from 4 test cases ran. (17 ms total) 6: [ PASSED ] 20 tests. 6/54 Test #6: AppliedForcesUnitTest ............... Passed 0.04 sec test 7 Start 7: CommandLineUnitTests 7: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/commandline-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/CommandLineUnitTests.xml" 7: Test timeout computed to be: 30 7: [==========] Running 59 tests from 7 test cases. 7: [----------] Global test environment set-up. 7: [----------] 3 tests from CommandLineHelpModuleTest 7: [ RUN ] CommandLineHelpModuleTest.PrintsGeneralHelp 7: [ OK ] CommandLineHelpModuleTest.PrintsGeneralHelp (0 ms) 7: [ RUN ] CommandLineHelpModuleTest.PrintsHelpOnTopic 7: [ OK ] CommandLineHelpModuleTest.PrintsHelpOnTopic (0 ms) 7: [ RUN ] CommandLineHelpModuleTest.ExportsHelp 7: [ OK ] CommandLineHelpModuleTest.ExportsHelp (2 ms) 7: [----------] 3 tests from CommandLineHelpModuleTest (2 ms total) 7: 7: [----------] 7 tests from CommandLineHelpWriterTest 7: [ RUN ] CommandLineHelpWriterTest.HandlesOptionTypes 7: [ OK ] CommandLineHelpWriterTest.HandlesOptionTypes (0 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables 7: [ OK ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables (1 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesLongFileOptions 7: [ OK ] CommandLineHelpWriterTest.HandlesLongFileOptions (0 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesLongOptions 7: [ OK ] CommandLineHelpWriterTest.HandlesLongOptions (1 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesOptionGroups 7: [ OK ] CommandLineHelpWriterTest.HandlesOptionGroups (0 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesHelpText 7: [ OK ] CommandLineHelpWriterTest.HandlesHelpText (0 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesKnownIssues 7: [ OK ] CommandLineHelpWriterTest.HandlesKnownIssues (0 ms) 7: [----------] 7 tests from CommandLineHelpWriterTest (2 ms total) 7: 7: [----------] 6 tests from CommandLineModuleManagerTest 7: [ RUN ] CommandLineModuleManagerTest.RunsModule 7: [ OK ] CommandLineModuleManagerTest.RunsModule (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelp 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelp (1 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelpAfterQuiet 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelpAfterQuiet (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelpWithDashH 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashH (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames 7: [ OK ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames (0 ms) 7: [----------] 6 tests from CommandLineModuleManagerTest (1 ms total) 7: 7: [----------] 13 tests from CommandLineParserTest 7: [ RUN ] CommandLineParserTest.HandlesSingleValues 7: [ OK ] CommandLineParserTest.HandlesSingleValues (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesBooleanWithoutArgument 7: [ OK ] CommandLineParserTest.HandlesBooleanWithoutArgument (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesBooleanAsNoWithoutArgument 7: [ OK ] CommandLineParserTest.HandlesBooleanAsNoWithoutArgument (0 ms) 7: [ RUN ] CommandLineParserTest.ThrowsWithBooleanAsNoWithArgument 7: [ OK ] CommandLineParserTest.ThrowsWithBooleanAsNoWithArgument (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesNegativeNumbers 7: [ OK ] CommandLineParserTest.HandlesNegativeNumbers (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesString 7: [ OK ] CommandLineParserTest.HandlesString (0 ms) 7: [ RUN ] CommandLineParserTest.RejectsStringWithMultipleValues 7: [ OK ] CommandLineParserTest.RejectsStringWithMultipleValues (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesDoubleDashOptionPrefix 7: [ OK ] CommandLineParserTest.HandlesDoubleDashOptionPrefix (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesOptionsStartingWithNumbers 7: [ OK ] CommandLineParserTest.HandlesOptionsStartingWithNumbers (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesSkipUnknown 7: [ OK ] CommandLineParserTest.HandlesSkipUnknown (0 ms) 7: [ RUN ] CommandLineParserTest.RejectsPositionalArgumentsByDefault 7: [ OK ] CommandLineParserTest.RejectsPositionalArgumentsByDefault (0 ms) 7: [ RUN ] CommandLineParserTest.CanAllowPositionalArguments 7: [ OK ] CommandLineParserTest.CanAllowPositionalArguments (0 ms) 7: [ RUN ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions 7: [ OK ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions (0 ms) 7: [----------] 13 tests from CommandLineParserTest (1 ms total) 7: 7: [----------] 6 tests from CommandLineProgramContextTest 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryWithAbsolutePath 7: [ OK ] CommandLineProgramContextTest.FindsBinaryWithAbsolutePath (10 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryWithRelativePath 7: [ OK ] CommandLineProgramContextTest.FindsBinaryWithRelativePath (0 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromPath 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromPath (0 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromCurrentDirectory 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromCurrentDirectory (0 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromAbsoluteSymLink 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromAbsoluteSymLink (6 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromRelativeSymLink 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromRelativeSymLink (0 ms) 7: [----------] 6 tests from CommandLineProgramContextTest (16 ms total) 7: 7: [----------] 3 tests from OutputNamesTest 7: [ RUN ] OutputNamesTest.CanBeSuffixed 7: [ OK ] OutputNamesTest.CanBeSuffixed (0 ms) 7: [ RUN ] OutputNamesTest.HasSuffixFromNoAppend 7: [ OK ] OutputNamesTest.HasSuffixFromNoAppend (0 ms) 7: [ RUN ] OutputNamesTest.CanHavePartNumberAdded 7: [ OK ] OutputNamesTest.CanHavePartNumberAdded (0 ms) 7: [----------] 3 tests from OutputNamesTest (0 ms total) 7: 7: [----------] 21 tests from ParseCommonArgsTest 7: [ RUN ] ParseCommonArgsTest.ParsesIntegerArgs 7: [ OK ] ParseCommonArgsTest.ParsesIntegerArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesInt64Args 7: [ OK ] ParseCommonArgsTest.ParsesInt64Args (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesRealArgs 7: [ OK ] ParseCommonArgsTest.ParsesRealArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesStringArgs 7: [ OK ] ParseCommonArgsTest.ParsesStringArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesBooleanArgs 7: [ OK ] ParseCommonArgsTest.ParsesBooleanArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesVectorArgs 7: [ OK ] ParseCommonArgsTest.ParsesVectorArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesTimeArgs 7: [ OK ] ParseCommonArgsTest.ParsesTimeArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesTimeArgsWithTimeUnit 7: [ OK ] ParseCommonArgsTest.ParsesTimeArgsWithTimeUnit (1 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesEnumArgs 7: [ OK ] ParseCommonArgsTest.ParsesEnumArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesFileArgs 7: [ OK ] ParseCommonArgsTest.ParsesFileArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesFileArgsWithDefaults 7: [ OK ] ParseCommonArgsTest.ParsesFileArgsWithDefaults (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesFileArgsWithDefaultFileName 7: [ OK ] ParseCommonArgsTest.ParsesFileArgsWithDefaultFileName (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParseFileArgsWithCustomDefaultExtension 7: [ OK ] ParseCommonArgsTest.ParseFileArgsWithCustomDefaultExtension (0 ms) 7: [ RUN ] ParseCommonArgsTest.HandlesNonExistentInputFiles 7: [ OK ] ParseCommonArgsTest.HandlesNonExistentInputFiles (0 ms) 7: [ RUN ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles 7: [ OK ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles (0 ms) 7: [ RUN ] ParseCommonArgsTest.AcceptsNonExistentInputFilesIfSpecified 7: [ OK ] ParseCommonArgsTest.AcceptsNonExistentInputFilesIfSpecified (0 ms) 7: [ RUN ] ParseCommonArgsTest.HandlesCompressedFiles 7: [ OK ] ParseCommonArgsTest.HandlesCompressedFiles (10 ms) 7: [ RUN ] ParseCommonArgsTest.AcceptsUnknownTrajectoryExtension 7: [ OK ] ParseCommonArgsTest.AcceptsUnknownTrajectoryExtension (1 ms) 7: [ RUN ] ParseCommonArgsTest.CompletesExtensionFromExistingFile 7: [ OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFile (1 ms) 7: [ RUN ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName 7: [ OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (0 ms) 7: [ RUN ] ParseCommonArgsTest.CanKeepUnknownArgs 7: [ OK ] ParseCommonArgsTest.CanKeepUnknownArgs (1 ms) 7: [----------] 21 tests from ParseCommonArgsTest (14 ms total) 7: 7: [----------] Global test environment tear-down 7: [==========] 59 tests from 7 test cases ran. (38 ms total) 7: [ PASSED ] 59 tests. 7/54 Test #7: CommandLineUnitTests ................ Passed 0.06 sec test 8 Start 8: DomDecTests 8: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/domdec-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/DomDecTests.xml" 8: Test timeout computed to be: 30 8: [==========] Running 9 tests from 2 test cases. 8: [----------] Global test environment set-up. 8: [----------] 7 tests from HashedMap 8: [ RUN ] HashedMap.InsertsFinds 8: [ OK ] HashedMap.InsertsFinds (0 ms) 8: [ RUN ] HashedMap.NegativeKeysWork 8: [ OK ] HashedMap.NegativeKeysWork (0 ms) 8: [ RUN ] HashedMap.InsertsErases 8: [ OK ] HashedMap.InsertsErases (0 ms) 8: [ RUN ] HashedMap.InsertsOrAssigns 8: [ OK ] HashedMap.InsertsOrAssigns (0 ms) 8: [ RUN ] HashedMap.Clears 8: [ OK ] HashedMap.Clears (0 ms) 8: [ RUN ] HashedMap.LinkedEntries 8: [ OK ] HashedMap.LinkedEntries (0 ms) 8: [ RUN ] HashedMap.ResizesTable 8: [ OK ] HashedMap.ResizesTable (0 ms) 8: [----------] 7 tests from HashedMap (0 ms total) 8: 8: [----------] 2 tests from LocalAtomSetManager 8: [ RUN ] LocalAtomSetManager.CanAddEmptyLocalAtomSet 8: [ OK ] LocalAtomSetManager.CanAddEmptyLocalAtomSet (0 ms) 8: [ RUN ] LocalAtomSetManager.CanAddandReadLocalAtomSetIndices 8: [ OK ] LocalAtomSetManager.CanAddandReadLocalAtomSetIndices (0 ms) 8: [----------] 2 tests from LocalAtomSetManager (0 ms total) 8: 8: [----------] Global test environment tear-down 8: [==========] 9 tests from 2 test cases ran. (0 ms total) 8: [ PASSED ] 9 tests. 8/54 Test #8: DomDecTests ......................... Passed 0.02 sec test 9 Start 9: EwaldUnitTests 9: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/ewald-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/EwaldUnitTests.xml" 9: Test timeout computed to be: 30 9: [==========] Running 257 tests from 10 test cases. 9: [----------] Global test environment set-up. 9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 (0 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1 (1 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2 (0 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 (5 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4 (0 ms) 9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest (7 ms total) 9: 9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 (29 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (28 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (11 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (28 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (15 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (9 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (9 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (6 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (12 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (15 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 (51 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 (5 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (12 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (53 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 (11 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (6 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (5 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 (34 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 (13 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (7 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 (28 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (9 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (6 ms) 9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (407 ms total) 9: 9: [----------] 144 tests from SaneInput/PmeGatherTest 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/0 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/0 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/1 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/1 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/2 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/2 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/3 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/3 (12 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/4 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/4 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/5 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/5 (10 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/6 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/6 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/7 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/7 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/8 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/8 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/9 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/9 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/10 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/10 (9 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/11 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/11 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/12 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/12 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/13 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/13 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/14 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/14 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/15 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/15 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/16 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/16 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/17 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/17 (11 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/18 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/18 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/19 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/19 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/20 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/20 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/21 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/21 (13 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/22 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/22 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/23 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/23 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/24 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/24 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/25 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/25 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/26 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/26 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/27 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/27 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/28 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/28 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/29 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/29 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/30 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/30 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/31 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/31 (18 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/32 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/32 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/33 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/33 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/34 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/34 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/35 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/35 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/36 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/36 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/37 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/37 (10 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/38 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/38 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/39 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/39 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/40 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/40 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/41 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/41 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/42 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/42 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/43 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/43 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/44 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/44 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/45 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/45 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/46 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/46 (16 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/47 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/47 (14 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/48 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/48 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/49 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/49 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/50 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/50 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/51 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/51 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/52 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/52 (13 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/53 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/53 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/54 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/54 (10 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/55 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/55 (18 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/56 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/56 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/57 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/57 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/58 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/58 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/59 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/59 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/60 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/60 (18 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/61 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/61 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/62 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/62 (24 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/63 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/63 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/64 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/64 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/65 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/65 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/66 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/66 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/67 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/67 (21 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/68 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/68 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/69 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/69 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/70 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/70 (10 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/71 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/71 (9 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/72 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/72 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/73 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/73 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/74 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/74 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/75 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/75 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/76 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/76 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/77 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/77 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/78 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/78 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/79 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/79 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/80 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/80 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/81 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/81 (12 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/82 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/82 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/83 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/83 (15 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/84 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/84 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/85 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/85 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/86 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/86 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/87 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/87 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/88 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/88 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/89 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/89 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/90 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/90 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/91 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/91 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/92 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/92 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/93 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/93 (10 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/94 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/94 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/95 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/95 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/96 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/96 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/97 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/97 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/98 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/98 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/99 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/99 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/100 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/100 (19 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/101 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/101 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/102 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/102 (14 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/103 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/103 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/104 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/104 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/105 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/105 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/106 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/106 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/107 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/107 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/108 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/108 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/109 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/109 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/110 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/110 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/111 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/111 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/112 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/112 (20 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/113 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/113 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/114 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/114 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/115 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/115 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/116 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/116 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/117 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/117 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/118 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/118 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/119 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/119 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/120 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/120 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/121 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/121 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/122 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/122 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/123 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/123 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/124 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/124 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/125 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/125 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/126 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/126 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/127 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/127 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/128 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/128 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/129 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/129 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/130 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/130 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/131 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/131 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/132 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/132 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/133 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/133 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/134 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/134 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/135 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/135 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/136 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/136 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/137 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/137 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/138 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/138 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/139 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/139 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/140 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/140 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/141 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/141 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/142 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/142 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/143 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/143 (1 ms) 9: [----------] 144 tests from SaneInput/PmeGatherTest (614 ms total) 9: 9: [----------] 16 tests from SaneInput/PmeSolveTest 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/0 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/1 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/2 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/3 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/4 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/5 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/6 (0 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/7 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/8 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/8 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/9 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/9 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/10 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/10 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/11 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/11 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/12 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/12 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/13 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/13 (7 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/14 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/14 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/15 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/15 (2 ms) 9: [----------] 16 tests from SaneInput/PmeSolveTest (26 ms total) 9: 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 (4 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 (2 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 (1 ms) 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest (12 ms total) 9: 9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 (3 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 (2 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2 (3 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3 (3 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4 (14 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5 (10 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 (3 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 (2 ms) 9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest (40 ms total) 9: 9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0 (5 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1 (96 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 (76 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4 (3 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/5 (34 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 (14 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 (0 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11 (42 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12 (8 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13 (11 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14 (15 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 (16 ms) 9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest (327 ms total) 9: 9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0 (9 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1 (9 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2 (34 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3 (28 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 (9 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 (13 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 (14 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 (1 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 (24 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 (14 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 (3 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 (28 ms) 9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest (187 ms total) 9: 9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 (21 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1 (12 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2 (8 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3 (5 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4 (15 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5 (6 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/6 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/6 (8 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7 (6 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8 (1 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 (4 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 (3 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11 (3 ms) 9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest (96 ms total) 9: 9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 (4 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 (5 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 (6 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 (16 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4 (8 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5 (9 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6 (19 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 (3 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 (6 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 (6 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 (7 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 (11 ms) 9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest (107 ms total) 9: 9: [----------] Global test environment tear-down 9: [==========] 257 tests from 10 test cases ran. (2001 ms total) 9: [ PASSED ] 257 tests. 9/54 Test #9: EwaldUnitTests ...................... Passed 2.24 sec test 10 Start 10: FFTUnitTests 10: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/fft-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/FFTUnitTests.xml" 10: Test timeout computed to be: 30 10: [==========] Running 14 tests from 4 test cases. 10: [----------] Global test environment set-up. 10: [----------] 2 tests from ManyFFTTest 10: [ RUN ] ManyFFTTest.Complex1DLength48Multi5Test 10: [ OK ] ManyFFTTest.Complex1DLength48Multi5Test (9 ms) 10: [ RUN ] ManyFFTTest.Real1DLength48Multi5Test 10: [ OK ] ManyFFTTest.Real1DLength48Multi5Test (18 ms) 10: [----------] 2 tests from ManyFFTTest (29 ms total) 10: 10: [----------] 1 test from FFTTest 10: [ RUN ] FFTTest.Real2DLength18_15Test 10: [ OK ] FFTTest.Real2DLength18_15Test (5 ms) 10: [----------] 1 test from FFTTest (6 ms total) 10: 10: [----------] 1 test from FFFTest3D 10: [ RUN ] FFFTest3D.Real5_6_9 10: [ OK ] FFFTest3D.Real5_6_9 (1 ms) 10: [----------] 1 test from FFFTest3D (2 ms total) 10: 10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/0 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (0 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/1 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (1 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/2 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/2 (1 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/3 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (4 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/4 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (2 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/0 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/0 (1 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/1 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/1 (0 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/2 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/2 (1 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/3 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/3 (29 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/4 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/4 (22 ms) 10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (61 ms total) 10: 10: [----------] Global test environment tear-down 10: [==========] 14 tests from 4 test cases ran. (98 ms total) 10: [ PASSED ] 14 tests. 10/54 Test #10: FFTUnitTests ........................ Passed 0.12 sec test 11 Start 11: GpuUtilsUnitTests 11: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/gpu_utils-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/GpuUtilsUnitTests.xml" 11: Test timeout computed to be: 30 11: [==========] Running 62 tests from 20 test cases. 11: [----------] Global test environment set-up. 11: [----------] 2 tests from ClfftInitializer 11: [ RUN ] ClfftInitializer.SingleInitializationWorks 11: [ OK ] ClfftInitializer.SingleInitializationWorks (0 ms) 11: [ RUN ] ClfftInitializer.TwoInitializationsWork 11: [ OK ] ClfftInitializer.TwoInitializationsWork (0 ms) 11: [----------] 2 tests from ClfftInitializer (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/0, where TypeParam = int 11: [ RUN ] HostAllocatorTest/0.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/0.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/0.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/0.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/0 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/1, where TypeParam = double 11: [ RUN ] HostAllocatorTest/1.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/1.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/1.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/1.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/1 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTest/2.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/2.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/2.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/2.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/2 (1 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/3, where TypeParam = gmx::test::MoveOnly 11: [ RUN ] HostAllocatorTest/3.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/3.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/3.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/3.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/3 (0 ms total) 11: 11: [----------] 3 tests from HostAllocatorTestCopyable/0, where TypeParam = int 11: [ RUN ] HostAllocatorTestCopyable/0.VectorsWithDefaultHostAllocatorAlwaysWorks 11: [ OK ] HostAllocatorTestCopyable/0.VectorsWithDefaultHostAllocatorAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/0.TransfersWithoutPinningWork 11: [ OK ] HostAllocatorTestCopyable/0.TransfersWithoutPinningWork (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/0.FillInputAlsoWorksAfterCallingReserve 11: [ OK ] HostAllocatorTestCopyable/0.FillInputAlsoWorksAfterCallingReserve (0 ms) 11: [----------] 3 tests from HostAllocatorTestCopyable/0 (0 ms total) 11: 11: [----------] 3 tests from HostAllocatorTestCopyable/1, where TypeParam = double 11: [ RUN ] HostAllocatorTestCopyable/1.VectorsWithDefaultHostAllocatorAlwaysWorks 11: [ OK ] HostAllocatorTestCopyable/1.VectorsWithDefaultHostAllocatorAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/1.TransfersWithoutPinningWork 11: [ OK ] HostAllocatorTestCopyable/1.TransfersWithoutPinningWork (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/1.FillInputAlsoWorksAfterCallingReserve 11: [ OK ] HostAllocatorTestCopyable/1.FillInputAlsoWorksAfterCallingReserve (0 ms) 11: [----------] 3 tests from HostAllocatorTestCopyable/1 (0 ms total) 11: 11: [----------] 3 tests from HostAllocatorTestCopyable/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTestCopyable/2.VectorsWithDefaultHostAllocatorAlwaysWorks 11: [ OK ] HostAllocatorTestCopyable/2.VectorsWithDefaultHostAllocatorAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/2.TransfersWithoutPinningWork 11: [ OK ] HostAllocatorTestCopyable/2.TransfersWithoutPinningWork (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/2.FillInputAlsoWorksAfterCallingReserve 11: [ OK ] HostAllocatorTestCopyable/2.FillInputAlsoWorksAfterCallingReserve (0 ms) 11: [----------] 3 tests from HostAllocatorTestCopyable/2 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/0, where TypeParam = int 11: [ RUN ] HostAllocatorTestNoMem/0.CreateVector 11: [ OK ] HostAllocatorTestNoMem/0.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/0.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/0.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.Swap 11: [ OK ] HostAllocatorTestNoMem/0.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.Comparison 11: [ OK ] HostAllocatorTestNoMem/0.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/0 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/1, where TypeParam = double 11: [ RUN ] HostAllocatorTestNoMem/1.CreateVector 11: [ OK ] HostAllocatorTestNoMem/1.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/1.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/1.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.Swap 11: [ OK ] HostAllocatorTestNoMem/1.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.Comparison 11: [ OK ] HostAllocatorTestNoMem/1.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/1 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTestNoMem/2.CreateVector 11: [ OK ] HostAllocatorTestNoMem/2.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/2.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/2.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.Swap 11: [ OK ] HostAllocatorTestNoMem/2.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.Comparison 11: [ OK ] HostAllocatorTestNoMem/2.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/2 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/3, where TypeParam = gmx::test::MoveOnly 11: [ RUN ] HostAllocatorTestNoMem/3.CreateVector 11: [ OK ] HostAllocatorTestNoMem/3.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/3.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/3.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.Swap 11: [ OK ] HostAllocatorTestNoMem/3.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.Comparison 11: [ OK ] HostAllocatorTestNoMem/3.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/3 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/0, where TypeParam = int 11: [ RUN ] HostAllocatorTestNoMemCopyable/0.CopyAssignment 11: [ OK ] HostAllocatorTestNoMemCopyable/0.CopyAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMemCopyable/0.CopyConstruction 11: [ OK ] HostAllocatorTestNoMemCopyable/0.CopyConstruction (0 ms) 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/0 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/1, where TypeParam = double 11: [ RUN ] HostAllocatorTestNoMemCopyable/1.CopyAssignment 11: [ OK ] HostAllocatorTestNoMemCopyable/1.CopyAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMemCopyable/1.CopyConstruction 11: [ OK ] HostAllocatorTestNoMemCopyable/1.CopyConstruction (0 ms) 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/1 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTestNoMemCopyable/2.CopyAssignment 11: [ OK ] HostAllocatorTestNoMemCopyable/2.CopyAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMemCopyable/2.CopyConstruction 11: [ OK ] HostAllocatorTestNoMemCopyable/2.CopyConstruction (0 ms) 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/2 (0 ms total) 11: 11: [----------] 1 test from HostAllocatorUntypedTest 11: [ RUN ] HostAllocatorUntypedTest.Comparison 11: [ OK ] HostAllocatorUntypedTest.Comparison (0 ms) 11: [----------] 1 test from HostAllocatorUntypedTest (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/0, where TypeParam = gmx::Allocator 11: [ RUN ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/0.Move 11: [ OK ] AllocatorTest/0.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/0 (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/1, where TypeParam = gmx::Allocator 11: [ RUN ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/1.Move 11: [ OK ] AllocatorTest/1.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/1 (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/2, where TypeParam = gmx::Allocator, gmx::HostAllocationPolicy> 11: [ RUN ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/2.Move 11: [ OK ] AllocatorTest/2.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/2 (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/3, where TypeParam = gmx::Allocator 11: [ RUN ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment (1 ms) 11: [ RUN ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/3.Move 11: [ OK ] AllocatorTest/3.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/3 (1 ms total) 11: 11: [----------] Global test environment tear-down 11: [==========] 62 tests from 20 test cases ran. (2 ms total) 11: [ PASSED ] 62 tests. 11/54 Test #11: GpuUtilsUnitTests ................... Passed 0.03 sec test 12 Start 12: HardwareUnitTests 12: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/hardware-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/HardwareUnitTests.xml" 12: Test timeout computed to be: 30 12: [==========] Running 4 tests from 1 test case. 12: [----------] Global test environment set-up. 12: [----------] 4 tests from HardwareTopologyTest 12: [ RUN ] HardwareTopologyTest.Execute 12: [ OK ] HardwareTopologyTest.Execute (81 ms) 12: [ RUN ] HardwareTopologyTest.HwlocExecute 12: [ OK ] HardwareTopologyTest.HwlocExecute (62 ms) 12: [ RUN ] HardwareTopologyTest.ProcessorSelfconsistency 12: [ OK ] HardwareTopologyTest.ProcessorSelfconsistency (60 ms) 12: [ RUN ] HardwareTopologyTest.NumaCacheSelfconsistency 12: [ OK ] HardwareTopologyTest.NumaCacheSelfconsistency (67 ms) 12: [----------] 4 tests from HardwareTopologyTest (270 ms total) 12: 12: [----------] Global test environment tear-down 12: [==========] 4 tests from 1 test case ran. (270 ms total) 12: [ PASSED ] 4 tests. 12/54 Test #12: HardwareUnitTests ................... Passed 0.30 sec test 13 Start 13: MathUnitTests 13: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/math-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MathUnitTests.xml" 13: Test timeout computed to be: 30 13: [==========] Running 204 tests from 29 test cases. 13: [----------] Global test environment set-up. 13: [----------] 1 test from EmptyArrayRefWithPaddingTest 13: [ RUN ] EmptyArrayRefWithPaddingTest.IsEmpty 13: [ OK ] EmptyArrayRefWithPaddingTest.IsEmpty (6 ms) 13: [----------] 1 test from EmptyArrayRefWithPaddingTest (6 ms total) 13: 13: [----------] 1 test from EmptyConstArrayRefWithPaddingTest 13: [ RUN ] EmptyConstArrayRefWithPaddingTest.IsEmpty 13: [ OK ] EmptyConstArrayRefWithPaddingTest.IsEmpty (0 ms) 13: [----------] 1 test from EmptyConstArrayRefWithPaddingTest (0 ms total) 13: 13: [----------] 2 tests from ArrayRefWithPaddingTest/0, where TypeParam = gmx::ArrayRefWithPadding 13: [ RUN ] ArrayRefWithPaddingTest/0.AssignFromPaddedVectorWorks 13: [ OK ] ArrayRefWithPaddingTest/0.AssignFromPaddedVectorWorks (0 ms) 13: [ RUN ] ArrayRefWithPaddingTest/0.ConstructFromPointersWorks 13: [ OK ] ArrayRefWithPaddingTest/0.ConstructFromPointersWorks (0 ms) 13: [----------] 2 tests from ArrayRefWithPaddingTest/0 (0 ms total) 13: 13: [----------] 2 tests from ArrayRefWithPaddingTest/1, where TypeParam = gmx::ArrayRefWithPadding 13: [ RUN ] ArrayRefWithPaddingTest/1.AssignFromPaddedVectorWorks 13: [ OK ] ArrayRefWithPaddingTest/1.AssignFromPaddedVectorWorks (13 ms) 13: [ RUN ] ArrayRefWithPaddingTest/1.ConstructFromPointersWorks 13: [ OK ] ArrayRefWithPaddingTest/1.ConstructFromPointersWorks (0 ms) 13: [----------] 2 tests from ArrayRefWithPaddingTest/1 (13 ms total) 13: 13: [----------] 2 tests from ArrayRefWithPaddingTest/2, where TypeParam = gmx::ArrayRefWithPadding 13: [ RUN ] ArrayRefWithPaddingTest/2.AssignFromPaddedVectorWorks 13: [ OK ] ArrayRefWithPaddingTest/2.AssignFromPaddedVectorWorks (0 ms) 13: [ RUN ] ArrayRefWithPaddingTest/2.ConstructFromPointersWorks 13: [ OK ] ArrayRefWithPaddingTest/2.ConstructFromPointersWorks (0 ms) 13: [----------] 2 tests from ArrayRefWithPaddingTest/2 (0 ms total) 13: 13: [----------] 8 tests from TranslateAndScaleTest 13: [ RUN ] TranslateAndScaleTest.identityTransformation 13: [ OK ] TranslateAndScaleTest.identityTransformation (0 ms) 13: [ RUN ] TranslateAndScaleTest.translationWithIdentityScaling 13: [ OK ] TranslateAndScaleTest.translationWithIdentityScaling (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingWithZeroTranslation 13: [ OK ] TranslateAndScaleTest.scalingWithZeroTranslation (1 ms) 13: [ RUN ] TranslateAndScaleTest.translationAndScalingNonTrivial 13: [ OK ] TranslateAndScaleTest.translationAndScalingNonTrivial (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingIdentity 13: [ OK ] TranslateAndScaleTest.scalingIdentity (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingNonTrivial 13: [ OK ] TranslateAndScaleTest.scalingNonTrivial (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingInverseNoZero 13: [ OK ] TranslateAndScaleTest.scalingInverseNoZero (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero 13: [ OK ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero (0 ms) 13: [----------] 8 tests from TranslateAndScaleTest (1 ms total) 13: 13: [----------] 12 tests from DensitySimilarityTest 13: [ RUN ] DensitySimilarityTest.InnerProductIsCorrect 13: [ OK ] DensitySimilarityTest.InnerProductIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.InnerProductGradientIsCorrect 13: [ OK ] DensitySimilarityTest.InnerProductGradientIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.GradientThrowsIfDensitiesDontMatch 13: [ OK ] DensitySimilarityTest.GradientThrowsIfDensitiesDontMatch (1 ms) 13: [ RUN ] DensitySimilarityTest.SimilarityThrowsIfDensitiesDontMatch 13: [ OK ] DensitySimilarityTest.SimilarityThrowsIfDensitiesDontMatch (0 ms) 13: [ RUN ] DensitySimilarityTest.CopiedMeasureInnerProductIsCorrect 13: [ OK ] DensitySimilarityTest.CopiedMeasureInnerProductIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.RelativeEntropyOfSameDensityIsZero 13: [ OK ] DensitySimilarityTest.RelativeEntropyOfSameDensityIsZero (0 ms) 13: [ RUN ] DensitySimilarityTest.RelativeEntropyIsCorrect 13: [ OK ] DensitySimilarityTest.RelativeEntropyIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect 13: [ OK ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationIsOne 13: [ OK ] DensitySimilarityTest.CrossCorrelationIsOne (91 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated 13: [ OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (51 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated 13: [ OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (15 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect 13: [ OK ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect (1 ms) 13: [----------] 12 tests from DensitySimilarityTest (159 ms total) 13: 13: [----------] 6 tests from StructureSimilarityTest 13: [ RUN ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD 13: [ OK ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD (0 ms) 13: [ RUN ] StructureSimilarityTest.StructureComparedToSelfHasZeroRho 13: [ OK ] StructureSimilarityTest.StructureComparedToSelfHasZeroRho (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRMSD 13: [ OK ] StructureSimilarityTest.YieldsCorrectRMSD (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRho 13: [ OK ] StructureSimilarityTest.YieldsCorrectRho (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRMSDWithIndex 13: [ OK ] StructureSimilarityTest.YieldsCorrectRMSDWithIndex (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRhoWidthIndex 13: [ OK ] StructureSimilarityTest.YieldsCorrectRhoWidthIndex (0 ms) 13: [----------] 6 tests from StructureSimilarityTest (0 ms total) 13: 13: [----------] 8 tests from ExponentialMovingAverage 13: [ RUN ] ExponentialMovingAverage.ThrowsWhenLagTimeIsZero 13: [ OK ] ExponentialMovingAverage.ThrowsWhenLagTimeIsZero (0 ms) 13: [ RUN ] ExponentialMovingAverage.ThrowsWhenLagTimeIsNegative 13: [ OK ] ExponentialMovingAverage.ThrowsWhenLagTimeIsNegative (0 ms) 13: [ RUN ] ExponentialMovingAverage.LagTimeOneYieldsInstantaneousValue 13: [ OK ] ExponentialMovingAverage.LagTimeOneYieldsInstantaneousValue (0 ms) 13: [ RUN ] ExponentialMovingAverage.YieldsCorrectValue 13: [ OK ] ExponentialMovingAverage.YieldsCorrectValue (0 ms) 13: [ RUN ] ExponentialMovingAverage.SetAverageCorrectly 13: [ OK ] ExponentialMovingAverage.SetAverageCorrectly (0 ms) 13: [ RUN ] ExponentialMovingAverage.DeterminesCorrectlyIfIncreasing 13: [ OK ] ExponentialMovingAverage.DeterminesCorrectlyIfIncreasing (0 ms) 13: [ RUN ] ExponentialMovingAverage.InverseLagTimeCorrect 13: [ OK ] ExponentialMovingAverage.InverseLagTimeCorrect (0 ms) 13: [ RUN ] ExponentialMovingAverage.RoundTripAsKeyValueTree 13: [ OK ] ExponentialMovingAverage.RoundTripAsKeyValueTree (0 ms) 13: [----------] 8 tests from ExponentialMovingAverage (0 ms total) 13: 13: [----------] 21 tests from FunctionTest 13: [ RUN ] FunctionTest.StaticLog2 13: [ OK ] FunctionTest.StaticLog2 (0 ms) 13: [ RUN ] FunctionTest.Log2I32Bit 13: [ OK ] FunctionTest.Log2I32Bit (0 ms) 13: [ RUN ] FunctionTest.Log2I64Bit 13: [ OK ] FunctionTest.Log2I64Bit (0 ms) 13: [ RUN ] FunctionTest.GreatestCommonDivisor 13: [ OK ] FunctionTest.GreatestCommonDivisor (0 ms) 13: [ RUN ] FunctionTest.InvsqrtFloat 13: [ OK ] FunctionTest.InvsqrtFloat (0 ms) 13: [ RUN ] FunctionTest.InvsqrtDouble 13: [ OK ] FunctionTest.InvsqrtDouble (0 ms) 13: [ RUN ] FunctionTest.InvsqrtInteger 13: [ OK ] FunctionTest.InvsqrtInteger (0 ms) 13: [ RUN ] FunctionTest.InvcbrtFloat 13: [ OK ] FunctionTest.InvcbrtFloat (0 ms) 13: [ RUN ] FunctionTest.InvcbrtDouble 13: [ OK ] FunctionTest.InvcbrtDouble (0 ms) 13: [ RUN ] FunctionTest.InvcbrtInteger 13: [ OK ] FunctionTest.InvcbrtInteger (0 ms) 13: [ RUN ] FunctionTest.SixthrootFloat 13: [ OK ] FunctionTest.SixthrootFloat (0 ms) 13: [ RUN ] FunctionTest.SixthrootDouble 13: [ OK ] FunctionTest.SixthrootDouble (0 ms) 13: [ RUN ] FunctionTest.SixthrootInteger 13: [ OK ] FunctionTest.SixthrootInteger (0 ms) 13: [ RUN ] FunctionTest.InvsixthrootFloat 13: [ OK ] FunctionTest.InvsixthrootFloat (0 ms) 13: [ RUN ] FunctionTest.InvsixthrootDouble 13: [ OK ] FunctionTest.InvsixthrootDouble (0 ms) 13: [ RUN ] FunctionTest.InvsixthrootInteger 13: [ OK ] FunctionTest.InvsixthrootInteger (0 ms) 13: [ RUN ] FunctionTest.Powers 13: [ OK ] FunctionTest.Powers (0 ms) 13: [ RUN ] FunctionTest.ErfInvFloat 13: [ OK ] FunctionTest.ErfInvFloat (0 ms) 13: [ RUN ] FunctionTest.ErfInvDouble 13: [ OK ] FunctionTest.ErfInvDouble (0 ms) 13: [ RUN ] FunctionTest.ErfAndErfInvAreInversesFloat 13: [ OK ] FunctionTest.ErfAndErfInvAreInversesFloat (1 ms) 13: [ RUN ] FunctionTest.ErfAndErfInvAreInversesDouble 13: [ OK ] FunctionTest.ErfAndErfInvAreInversesDouble (0 ms) 13: [----------] 21 tests from FunctionTest (2 ms total) 13: 13: [----------] 4 tests from GaussianOn1DLattice 13: [ RUN ] GaussianOn1DLattice.sumsCloseToOne 13: [ OK ] GaussianOn1DLattice.sumsCloseToOne (0 ms) 13: [ RUN ] GaussianOn1DLattice.isCorrect 13: [ OK ] GaussianOn1DLattice.isCorrect (0 ms) 13: [ RUN ] GaussianOn1DLattice.complementaryAmplitudesSumToZero 13: [ OK ] GaussianOn1DLattice.complementaryAmplitudesSumToZero (0 ms) 13: [ RUN ] GaussianOn1DLattice.doesNotOverflowForLargeRange 13: [ OK ] GaussianOn1DLattice.doesNotOverflowForLargeRange (0 ms) 13: [----------] 4 tests from GaussianOn1DLattice (0 ms total) 13: 13: [----------] 9 tests from GaussTransformTest 13: [ RUN ] GaussTransformTest.isZeroUponConstruction 13: [ OK ] GaussTransformTest.isZeroUponConstruction (0 ms) 13: [ RUN ] GaussTransformTest.isZeroAddingZeroAmplitudeGauss 13: [ OK ] GaussTransformTest.isZeroAddingZeroAmplitudeGauss (0 ms) 13: [ RUN ] GaussTransformTest.isZeroAfterSettingZero 13: [ OK ] GaussTransformTest.isZeroAfterSettingZero (0 ms) 13: [ RUN ] GaussTransformTest.isZeroWhenOutsideRangeinX 13: [ OK ] GaussTransformTest.isZeroWhenOutsideRangeinX (0 ms) 13: [ RUN ] GaussTransformTest.isZeroWhenOutsideRangeinY 13: [ OK ] GaussTransformTest.isZeroWhenOutsideRangeinY (0 ms) 13: [ RUN ] GaussTransformTest.isZeroWhenOutsideRangeinZ 13: [ OK ] GaussTransformTest.isZeroWhenOutsideRangeinZ (0 ms) 13: [ RUN ] GaussTransformTest.complementaryGaussAddToZero 13: [ OK ] GaussTransformTest.complementaryGaussAddToZero (0 ms) 13: [ RUN ] GaussTransformTest.centerGaussianInCubeHasExpectedValues 13: [ OK ] GaussTransformTest.centerGaussianInCubeHasExpectedValues (0 ms) 13: [ RUN ] GaussTransformTest.view 13: [ OK ] GaussTransformTest.view (0 ms) 13: [----------] 9 tests from GaussTransformTest (0 ms total) 13: 13: [----------] 3 tests from DensityFittingForce 13: [ RUN ] DensityFittingForce.isZeroWhenMatchingDensity 13: [ OK ] DensityFittingForce.isZeroWhenMatchingDensity (0 ms) 13: [ RUN ] DensityFittingForce.isZeroWhenMismatchingSameAllDirections 13: [ OK ] DensityFittingForce.isZeroWhenMismatchingSameAllDirections (0 ms) 13: [ RUN ] DensityFittingForce.pullsTowardsDerivative 13: [ OK ] DensityFittingForce.pullsTowardsDerivative (0 ms) 13: [----------] 3 tests from DensityFittingForce (0 ms total) 13: 13: [----------] 2 tests from InvertMatrixTest 13: [ RUN ] InvertMatrixTest.IdentityIsImpotent 13: [ OK ] InvertMatrixTest.IdentityIsImpotent (0 ms) 13: [ RUN ] InvertMatrixTest.ComputesInverse 13: [ OK ] InvertMatrixTest.ComputesInverse (0 ms) 13: [----------] 2 tests from InvertMatrixTest (0 ms total) 13: 13: [----------] 2 tests from InvertBoxMatrixTest 13: [ RUN ] InvertBoxMatrixTest.IdentityIsImpotent 13: [ OK ] InvertBoxMatrixTest.IdentityIsImpotent (0 ms) 13: [ RUN ] InvertBoxMatrixTest.ComputesInverseInPlace 13: [ OK ] InvertBoxMatrixTest.ComputesInverseInPlace (0 ms) 13: [----------] 2 tests from InvertBoxMatrixTest (0 ms total) 13: 13: [----------] 15 tests from MatrixTest 13: [ RUN ] MatrixTest.canSetFromArray 13: [ OK ] MatrixTest.canSetFromArray (0 ms) 13: [ RUN ] MatrixTest.canSetStaticallyFromList 13: [ OK ] MatrixTest.canSetStaticallyFromList (0 ms) 13: [ RUN ] MatrixTest.canConstructAndFill 13: [ OK ] MatrixTest.canConstructAndFill (0 ms) 13: [ RUN ] MatrixTest.canSetValues 13: [ OK ] MatrixTest.canSetValues (0 ms) 13: [ RUN ] MatrixTest.canCopyAssign 13: [ OK ] MatrixTest.canCopyAssign (0 ms) 13: [ RUN ] MatrixTest.canSwap 13: [ OK ] MatrixTest.canSwap (0 ms) 13: [ RUN ] MatrixTest.staticMultiDimArrayExtent 13: [ OK ] MatrixTest.staticMultiDimArrayExtent (0 ms) 13: [ RUN ] MatrixTest.determinantWorks 13: [ OK ] MatrixTest.determinantWorks (0 ms) 13: [ RUN ] MatrixTest.noninvertableDeterminantIsZero 13: [ OK ] MatrixTest.noninvertableDeterminantIsZero (0 ms) 13: [ RUN ] MatrixTest.determinantOfDiagonalMatrix 13: [ OK ] MatrixTest.determinantOfDiagonalMatrix (0 ms) 13: [ RUN ] MatrixTest.traceWorks 13: [ OK ] MatrixTest.traceWorks (0 ms) 13: [ RUN ] MatrixTest.transposeWorks 13: [ OK ] MatrixTest.transposeWorks (0 ms) 13: [ RUN ] MatrixTest.transposeOfSymmetricMatrix 13: [ OK ] MatrixTest.transposeOfSymmetricMatrix (0 ms) 13: [ RUN ] MatrixTest.canCreateFromLegacyMatrix 13: [ OK ] MatrixTest.canCreateFromLegacyMatrix (0 ms) 13: [ RUN ] MatrixTest.canFillLegacyMatrix 13: [ OK ] MatrixTest.canFillLegacyMatrix (0 ms) 13: [----------] 15 tests from MatrixTest (0 ms total) 13: 13: [----------] 25 tests from MultiDimArrayTest 13: [ RUN ] MultiDimArrayTest.canConstructAndFillStatic 13: [ OK ] MultiDimArrayTest.canConstructAndFillStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canConstructAndFillDynamic 13: [ OK ] MultiDimArrayTest.canConstructAndFillDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSetValuesInStatic 13: [ OK ] MultiDimArrayTest.canSetValuesInStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSetValuesInDynamic 13: [ OK ] MultiDimArrayTest.canSetValuesInDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveConstructStatic 13: [ OK ] MultiDimArrayTest.canMoveConstructStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveConstructDynamic 13: [ OK ] MultiDimArrayTest.canMoveConstructDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveAssignStatic 13: [ OK ] MultiDimArrayTest.canMoveAssignStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveAssignDynamic 13: [ OK ] MultiDimArrayTest.canMoveAssignDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyConstructStatic 13: [ OK ] MultiDimArrayTest.canCopyConstructStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyConstructDynamic 13: [ OK ] MultiDimArrayTest.canCopyConstructDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyAssignStatic 13: [ OK ] MultiDimArrayTest.canCopyAssignStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyAssignDynamic 13: [ OK ] MultiDimArrayTest.canCopyAssignDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSwapStatic 13: [ OK ] MultiDimArrayTest.canSwapStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSwapDynamic 13: [ OK ] MultiDimArrayTest.canSwapDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.staticMultiDimArrayExtent 13: [ OK ] MultiDimArrayTest.staticMultiDimArrayExtent (0 ms) 13: [ RUN ] MultiDimArrayTest.dynamicMultiDimArrayExtent 13: [ OK ] MultiDimArrayTest.dynamicMultiDimArrayExtent (0 ms) 13: [ RUN ] MultiDimArrayTest.dynamicMultiDimArrayResizesToCorrectExtent 13: [ OK ] MultiDimArrayTest.dynamicMultiDimArrayResizesToCorrectExtent (0 ms) 13: [ RUN ] MultiDimArrayTest.dynamicMultiDimArrayResizeAndSetValue 13: [ OK ] MultiDimArrayTest.dynamicMultiDimArrayResizeAndSetValue (0 ms) 13: [ RUN ] MultiDimArrayTest.staticMultiDimArrayFromArray 13: [ OK ] MultiDimArrayTest.staticMultiDimArrayFromArray (0 ms) 13: [ RUN ] MultiDimArrayTest.conversionToView 13: [ OK ] MultiDimArrayTest.conversionToView (0 ms) 13: [ RUN ] MultiDimArrayTest.conversionToConstView 13: [ OK ] MultiDimArrayTest.conversionToConstView (0 ms) 13: [ RUN ] MultiDimArrayTest.viewBegin 13: [ OK ] MultiDimArrayTest.viewBegin (0 ms) 13: [ RUN ] MultiDimArrayTest.viewEnd 13: [ OK ] MultiDimArrayTest.viewEnd (0 ms) 13: [ RUN ] MultiDimArrayTest.constViewConstBegin 13: [ OK ] MultiDimArrayTest.constViewConstBegin (0 ms) 13: [ RUN ] MultiDimArrayTest.constViewConstEnd 13: [ OK ] MultiDimArrayTest.constViewConstEnd (0 ms) 13: [----------] 25 tests from MultiDimArrayTest (0 ms total) 13: 13: [----------] 4 tests from MultiDimArrayToMdSpanTest 13: [ RUN ] MultiDimArrayToMdSpanTest.convertsToMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.convertsToMdSpan (0 ms) 13: [ RUN ] MultiDimArrayToMdSpanTest.constArrayToMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.constArrayToMdSpan (0 ms) 13: [ RUN ] MultiDimArrayToMdSpanTest.nonConstArrayToConstMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.nonConstArrayToConstMdSpan (0 ms) 13: [ RUN ] MultiDimArrayToMdSpanTest.implicitConversionToMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.implicitConversionToMdSpan (0 ms) 13: [----------] 4 tests from MultiDimArrayToMdSpanTest (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/0, where TypeParam = std::allocator 13: [ RUN ] PaddedVectorTest/0.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/0.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/0.CanCopyAssign 13: [ OK ] PaddedVectorTest/0.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/0.CanMoveAssign 13: [ OK ] PaddedVectorTest/0.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/0.CanSwap 13: [ OK ] PaddedVectorTest/0.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/0 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/1, where TypeParam = std::allocator 13: [ RUN ] PaddedVectorTest/1.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/1.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/1.CanCopyAssign 13: [ OK ] PaddedVectorTest/1.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/1.CanMoveAssign 13: [ OK ] PaddedVectorTest/1.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/1.CanSwap 13: [ OK ] PaddedVectorTest/1.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/1 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/2, where TypeParam = std::allocator 13: [ RUN ] PaddedVectorTest/2.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/2.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/2.CanCopyAssign 13: [ OK ] PaddedVectorTest/2.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/2.CanMoveAssign 13: [ OK ] PaddedVectorTest/2.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/2.CanSwap 13: [ OK ] PaddedVectorTest/2.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/2 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/3, where TypeParam = std::allocator > 13: [ RUN ] PaddedVectorTest/3.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/3.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/3.CanCopyAssign 13: [ OK ] PaddedVectorTest/3.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/3.CanMoveAssign 13: [ OK ] PaddedVectorTest/3.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/3.CanSwap 13: [ OK ] PaddedVectorTest/3.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/3 (1 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/4, where TypeParam = std::allocator > 13: [ RUN ] PaddedVectorTest/4.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/4.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/4.CanCopyAssign 13: [ OK ] PaddedVectorTest/4.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/4.CanMoveAssign 13: [ OK ] PaddedVectorTest/4.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/4.CanSwap 13: [ OK ] PaddedVectorTest/4.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/4 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/5, where TypeParam = gmx::Allocator 13: [ RUN ] PaddedVectorTest/5.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/5.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/5.CanCopyAssign 13: [ OK ] PaddedVectorTest/5.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/5.CanMoveAssign 13: [ OK ] PaddedVectorTest/5.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/5.CanSwap 13: [ OK ] PaddedVectorTest/5.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/5 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/6, where TypeParam = gmx::Allocator 13: [ RUN ] PaddedVectorTest/6.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/6.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/6.CanCopyAssign 13: [ OK ] PaddedVectorTest/6.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/6.CanMoveAssign 13: [ OK ] PaddedVectorTest/6.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/6.CanSwap 13: [ OK ] PaddedVectorTest/6.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/6 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/7, where TypeParam = gmx::Allocator 13: [ RUN ] PaddedVectorTest/7.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/7.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/7.CanCopyAssign 13: [ OK ] PaddedVectorTest/7.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/7.CanMoveAssign 13: [ OK ] PaddedVectorTest/7.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/7.CanSwap 13: [ OK ] PaddedVectorTest/7.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/7 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/8, where TypeParam = gmx::Allocator, gmx::AlignedAllocationPolicy> 13: [ RUN ] PaddedVectorTest/8.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/8.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/8.CanCopyAssign 13: [ OK ] PaddedVectorTest/8.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/8.CanMoveAssign 13: [ OK ] PaddedVectorTest/8.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/8.CanSwap 13: [ OK ] PaddedVectorTest/8.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/8 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/9, where TypeParam = gmx::Allocator, gmx::AlignedAllocationPolicy> 13: [ RUN ] PaddedVectorTest/9.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/9.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/9.CanCopyAssign 13: [ OK ] PaddedVectorTest/9.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/9.CanMoveAssign 13: [ OK ] PaddedVectorTest/9.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/9.CanSwap 13: [ OK ] PaddedVectorTest/9.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/9 (0 ms total) 13: 13: [----------] 37 tests from RVecTest 13: [ RUN ] RVecTest.CanBeStoredInVector 13: [ OK ] RVecTest.CanBeStoredInVector (0 ms) 13: [ RUN ] RVecTest.ConvertsImplicitlyFrom_rvec 13: [ OK ] RVecTest.ConvertsImplicitlyFrom_rvec (0 ms) 13: [ RUN ] RVecTest.ConvertsImplicitlyTo_rvec 13: [ OK ] RVecTest.ConvertsImplicitlyTo_rvec (0 ms) 13: [ RUN ] RVecTest.WorksAsMutable_rvec 13: [ OK ] RVecTest.WorksAsMutable_rvec (0 ms) 13: [ RUN ] RVecTest.WorksAs_rvec_Array 13: [ OK ] RVecTest.WorksAs_rvec_Array (0 ms) 13: [ RUN ] RVecTest.CanAddRVecToRvec 13: [ OK ] RVecTest.CanAddRVecToRvec (0 ms) 13: [ RUN ] RVecTest.CanAddAssignRVecToRvec 13: [ OK ] RVecTest.CanAddAssignRVecToRvec (0 ms) 13: [ RUN ] RVecTest.CanSubtractRVecFromRvec 13: [ OK ] RVecTest.CanSubtractRVecFromRvec (0 ms) 13: [ RUN ] RVecTest.CanSubtractAssignRVecFromRvec 13: [ OK ] RVecTest.CanSubtractAssignRVecFromRvec (0 ms) 13: [ RUN ] RVecTest.CanDotProductRVecByRvec 13: [ OK ] RVecTest.CanDotProductRVecByRvec (0 ms) 13: [ RUN ] RVecTest.CanCrossProductRVecByRvec 13: [ OK ] RVecTest.CanCrossProductRVecByRvec (0 ms) 13: [ RUN ] RVecTest.CanDivideRVecInplace 13: [ OK ] RVecTest.CanDivideRVecInplace (0 ms) 13: [ RUN ] RVecTest.CanScaleRVec 13: [ OK ] RVecTest.CanScaleRVec (0 ms) 13: [ RUN ] RVecTest.CanDivideRVec 13: [ OK ] RVecTest.CanDivideRVec (0 ms) 13: [ RUN ] RVecTest.CanDoUnitvFromRVec 13: [ OK ] RVecTest.CanDoUnitvFromRVec (0 ms) 13: [ RUN ] RVecTest.CanSqLengthOfRVec 13: [ OK ] RVecTest.CanSqLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanLengthOfRVec 13: [ OK ] RVecTest.CanLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanCastToRVec 13: [ OK ] RVecTest.CanCastToRVec (0 ms) 13: [ RUN ] RVecTest.CanCastToDVec 13: [ OK ] RVecTest.CanCastToDVec (0 ms) 13: [ RUN ] RVecTest.CanLeftScalarMultiply 13: [ OK ] RVecTest.CanLeftScalarMultiply (0 ms) 13: [ RUN ] RVecTest.CanRightScalarMultiply 13: [ OK ] RVecTest.CanRightScalarMultiply (0 ms) 13: [ RUN ] RVecTest.CanGetUnitvFromRVec 13: [ OK ] RVecTest.CanGetUnitvFromRVec (0 ms) 13: [ RUN ] RVecTest.CanGetSqLengthOfRVec 13: [ OK ] RVecTest.CanGetSqLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanGetLengthOfRVec 13: [ OK ] RVecTest.CanGetLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanDoCrossProductOfRVec 13: [ OK ] RVecTest.CanDoCrossProductOfRVec (0 ms) 13: [ RUN ] RVecTest.CanDoDotProductOfRVec 13: [ OK ] RVecTest.CanDoDotProductOfRVec (0 ms) 13: [ RUN ] RVecTest.CanScaleByVector 13: [ OK ] RVecTest.CanScaleByVector (0 ms) 13: [ RUN ] RVecTest.asIVec 13: [ OK ] RVecTest.asIVec (0 ms) 13: [ RUN ] RVecTest.elementWiseMin 13: [ OK ] RVecTest.elementWiseMin (0 ms) 13: [ RUN ] RVecTest.elementWiseMax 13: [ OK ] RVecTest.elementWiseMax (0 ms) 13: [ RUN ] RVecTest.WorksAs_dvec_Reference 13: [ OK ] RVecTest.WorksAs_dvec_Reference (0 ms) 13: [ RUN ] RVecTest.WorksAs_ivec_Reference 13: [ OK ] RVecTest.WorksAs_ivec_Reference (0 ms) 13: [ RUN ] RVecTest.WorksAs_rvec_Reference 13: [ OK ] RVecTest.WorksAs_rvec_Reference (0 ms) 13: [ RUN ] RVecTest.CopyConstructorWorks 13: [ OK ] RVecTest.CopyConstructorWorks (0 ms) 13: [ RUN ] RVecTest.CopyAssignmentWorks 13: [ OK ] RVecTest.CopyAssignmentWorks (0 ms) 13: [ RUN ] RVecTest.MoveConstructorWorks 13: [ OK ] RVecTest.MoveConstructorWorks (0 ms) 13: [ RUN ] RVecTest.MoveAssignmentWorks 13: [ OK ] RVecTest.MoveAssignmentWorks (0 ms) 13: [----------] 37 tests from RVecTest (0 ms total) 13: 13: [----------] Global test environment tear-down 13: [==========] 204 tests from 29 test cases ran. (183 ms total) 13: [ PASSED ] 204 tests. 13/54 Test #13: MathUnitTests ....................... Passed 0.23 sec test 14 Start 14: MdrunUtilityUnitTests 14: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/mdrunutility-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MdrunUtilityUnitTests.xml" 14: Test timeout computed to be: 30 14: [==========] Running 17 tests from 1 test case. 14: [----------] Global test environment set-up. 14: [----------] 17 tests from ThreadAffinityTest 14: [ RUN ] ThreadAffinityTest.DoesNothingWhenDisabled 14: [ OK ] ThreadAffinityTest.DoesNothingWhenDisabled (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWhenNotSupported 14: [ OK ] ThreadAffinityTest.DoesNothingWhenNotSupported (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithAutoAndTooFewUserSetThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooFewUserSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyUserSetThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyUserSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyAutoSetThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyAutoSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithUnknownHardware 14: [ OK ] ThreadAffinityTest.DoesNothingWithUnknownHardware (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithTooManyThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithTooManyThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithTooLargeOffset 14: [ OK ] ThreadAffinityTest.DoesNothingWithTooLargeOffset (1 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithTooLargeStride 14: [ OK ] ThreadAffinityTest.DoesNothingWithTooLargeStride (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsSingleThreadWithAuto 14: [ OK ] ThreadAffinityTest.PinsSingleThreadWithAuto (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsSingleThreadWhenForced 14: [ OK ] ThreadAffinityTest.PinsSingleThreadWhenForced (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced 14: [ OK ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced (0 ms) 14: [ RUN ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread 14: NOTE: Affinity setting failed. 14: [ OK ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsMultipleThreadsWithAuto 14: [ OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (1 ms) 14: [ RUN ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced 14: [ OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads 14: [ OK ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing 14: NOTE: Affinity setting for 1/2 threads failed. 14: [ OK ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing (0 ms) 14: [----------] 17 tests from ThreadAffinityTest (2 ms total) 14: 14: [----------] Global test environment tear-down 14: [==========] 17 tests from 1 test case ran. (2 ms total) 14: [ PASSED ] 17 tests. 14/54 Test #14: MdrunUtilityUnitTests ............... Passed 0.04 sec test 15 Start 15: MdrunUtilityMpiUnitTests 15: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/mdrunutility-mpi-test "-ntmpi" "4" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MdrunUtilityMpiUnitTests.xml" 15: Test timeout computed to be: 30 15: [==========] Running 13 tests from 2 test cases. 15: [----------] Global test environment set-up. 15: [----------] 6 tests from ThreadAffinityMultiRankTest 15: [ RUN ] ThreadAffinityMultiRankTest.PinsWholeNode 15: [ OK ] ThreadAffinityMultiRankTest.PinsWholeNode (54 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride 15: [ OK ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride (2 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.PinsTwoNodes 15: [ OK ] ThreadAffinityMultiRankTest.PinsTwoNodes (1 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled 15: [ OK ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled (0 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto 15: [ OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto (1 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce 15: [ OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (0 ms) 15: [----------] 6 tests from ThreadAffinityMultiRankTest (58 ms total) 15: 15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly (1 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly (1 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster (0 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly (1 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly (1 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly (1 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly (1 ms) 15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (6 ms total) 15: 15: [----------] Global test environment tear-down 15: [==========] 13 tests from 2 test cases ran. (64 ms total) 15: [ PASSED ] 13 tests. 15/54 Test #15: MdrunUtilityMpiUnitTests ............ Passed 0.08 sec test 16 Start 16: MDSpanTests 16: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/mdspan-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MDSpanTests.xml" 16: Test timeout computed to be: 30 16: [==========] Running 32 tests from 7 test cases. 16: [----------] Global test environment set-up. 16: [----------] 4 tests from BasicAccessorPolicy 16: [ RUN ] BasicAccessorPolicy.Decay 16: [ OK ] BasicAccessorPolicy.Decay (0 ms) 16: [ RUN ] BasicAccessorPolicy.Access 16: [ OK ] BasicAccessorPolicy.Access (0 ms) 16: [ RUN ] BasicAccessorPolicy.Offset 16: [ OK ] BasicAccessorPolicy.Offset (0 ms) 16: [ RUN ] BasicAccessorPolicy.CopyAccessor 16: [ OK ] BasicAccessorPolicy.CopyAccessor (0 ms) 16: [----------] 4 tests from BasicAccessorPolicy (0 ms total) 16: 16: [----------] 4 tests from ExtentsTest 16: [ RUN ] ExtentsTest.Construction 16: [ OK ] ExtentsTest.Construction (0 ms) 16: [ RUN ] ExtentsTest.PurelyStatic 16: [ OK ] ExtentsTest.PurelyStatic (0 ms) 16: [ RUN ] ExtentsTest.RankNought 16: [ OK ] ExtentsTest.RankNought (0 ms) 16: [ RUN ] ExtentsTest.Assignment 16: [ OK ] ExtentsTest.Assignment (0 ms) 16: [----------] 4 tests from ExtentsTest (0 ms total) 16: 16: [----------] 8 tests from MdSpanExtension 16: [ RUN ] MdSpanExtension.SlicingAllStatic 16: [ OK ] MdSpanExtension.SlicingAllStatic (0 ms) 16: [ RUN ] MdSpanExtension.SlicingDynamic 16: [ OK ] MdSpanExtension.SlicingDynamic (0 ms) 16: [ RUN ] MdSpanExtension.SlicingAllStatic3D 16: [ OK ] MdSpanExtension.SlicingAllStatic3D (0 ms) 16: [ RUN ] MdSpanExtension.SlicingEqualsView3D 16: [ OK ] MdSpanExtension.SlicingEqualsView3D (0 ms) 16: [ RUN ] MdSpanExtension.additionWorks 16: [ OK ] MdSpanExtension.additionWorks (0 ms) 16: [ RUN ] MdSpanExtension.subtractionWorks 16: [ OK ] MdSpanExtension.subtractionWorks (0 ms) 16: [ RUN ] MdSpanExtension.multiplicationWorks 16: [ OK ] MdSpanExtension.multiplicationWorks (0 ms) 16: [ RUN ] MdSpanExtension.divisionWorks 16: [ OK ] MdSpanExtension.divisionWorks (0 ms) 16: [----------] 8 tests from MdSpanExtension (0 ms total) 16: 16: [----------] 3 tests from LayoutTests 16: [ RUN ] LayoutTests.LayoutRightConstruction 16: [ OK ] LayoutTests.LayoutRightConstruction (0 ms) 16: [ RUN ] LayoutTests.LayoutRightProperties 16: [ OK ] LayoutTests.LayoutRightProperties (0 ms) 16: [ RUN ] LayoutTests.LayoutRightOperator 16: [ OK ] LayoutTests.LayoutRightOperator (0 ms) 16: [----------] 3 tests from LayoutTests (0 ms total) 16: 16: [----------] 1 test from MdSpanTest 16: [ RUN ] MdSpanTest.MdSpanWrapsBasicMdSpanCorrectly 16: [ OK ] MdSpanTest.MdSpanWrapsBasicMdSpanCorrectly (0 ms) 16: [----------] 1 test from MdSpanTest (0 ms total) 16: 16: [----------] 6 tests from MdSpanTest/0, where TypeParam = gmx::basic_mdspan, gmx::layout_right, gmx::accessor_basic > 16: [ RUN ] MdSpanTest/0.Rank 16: [ OK ] MdSpanTest/0.Rank (0 ms) 16: [ RUN ] MdSpanTest/0.DynamicRank 16: [ OK ] MdSpanTest/0.DynamicRank (0 ms) 16: [ RUN ] MdSpanTest/0.Extents 16: [ OK ] MdSpanTest/0.Extents (0 ms) 16: [ RUN ] MdSpanTest/0.Strides 16: [ OK ] MdSpanTest/0.Strides (0 ms) 16: [ RUN ] MdSpanTest/0.Properties 16: [ OK ] MdSpanTest/0.Properties (0 ms) 16: [ RUN ] MdSpanTest/0.Operator 16: [ OK ] MdSpanTest/0.Operator (0 ms) 16: [----------] 6 tests from MdSpanTest/0 (0 ms total) 16: 16: [----------] 6 tests from MdSpanTest/1, where TypeParam = gmx::basic_mdspan, gmx::layout_right, gmx::accessor_basic > 16: [ RUN ] MdSpanTest/1.Rank 16: [ OK ] MdSpanTest/1.Rank (0 ms) 16: [ RUN ] MdSpanTest/1.DynamicRank 16: [ OK ] MdSpanTest/1.DynamicRank (0 ms) 16: [ RUN ] MdSpanTest/1.Extents 16: [ OK ] MdSpanTest/1.Extents (0 ms) 16: [ RUN ] MdSpanTest/1.Strides 16: [ OK ] MdSpanTest/1.Strides (0 ms) 16: [ RUN ] MdSpanTest/1.Properties 16: [ OK ] MdSpanTest/1.Properties (0 ms) 16: [ RUN ] MdSpanTest/1.Operator 16: [ OK ] MdSpanTest/1.Operator (0 ms) 16: [----------] 6 tests from MdSpanTest/1 (0 ms total) 16: 16: [----------] Global test environment tear-down 16: [==========] 32 tests from 7 test cases ran. (0 ms total) 16: [ PASSED ] 32 tests. 16/54 Test #16: MDSpanTests ......................... Passed 0.03 sec test 17 Start 17: OnlineHelpUnitTests 17: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/onlinehelp-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/OnlineHelpUnitTests.xml" 17: Test timeout computed to be: 30 17: [==========] Running 22 tests from 4 test cases. 17: [----------] Global test environment set-up. 17: [----------] 6 tests from TextTableFormatterTest 17: [ RUN ] TextTableFormatterTest.HandlesBasicCase 17: [ OK ] TextTableFormatterTest.HandlesBasicCase (12 ms) 17: [ RUN ] TextTableFormatterTest.HandlesEmptyColumnTitles 17: [ OK ] TextTableFormatterTest.HandlesEmptyColumnTitles (1 ms) 17: [ RUN ] TextTableFormatterTest.HandlesIndentation 17: [ OK ] TextTableFormatterTest.HandlesIndentation (0 ms) 17: [ RUN ] TextTableFormatterTest.HandlesOverflowingLines 17: [ OK ] TextTableFormatterTest.HandlesOverflowingLines (4 ms) 17: [ RUN ] TextTableFormatterTest.HandlesLastColumnFolding 17: [ OK ] TextTableFormatterTest.HandlesLastColumnFolding (0 ms) 17: [ RUN ] TextTableFormatterTest.HandlesEmptyColumns 17: [ OK ] TextTableFormatterTest.HandlesEmptyColumns (0 ms) 17: [----------] 6 tests from TextTableFormatterTest (17 ms total) 17: 17: [----------] 3 tests from HelpManagerTest 17: [ RUN ] HelpManagerTest.HandlesRootTopic 17: [ OK ] HelpManagerTest.HandlesRootTopic (3 ms) 17: [ RUN ] HelpManagerTest.HandlesSubTopics 17: [ OK ] HelpManagerTest.HandlesSubTopics (0 ms) 17: [ RUN ] HelpManagerTest.HandlesInvalidTopics 17: [ OK ] HelpManagerTest.HandlesInvalidTopics (1 ms) 17: [----------] 3 tests from HelpManagerTest (4 ms total) 17: 17: [----------] 2 tests from HelpTopicFormattingTest 17: [ RUN ] HelpTopicFormattingTest.FormatsSimpleTopic 17: [ OK ] HelpTopicFormattingTest.FormatsSimpleTopic (67 ms) 17: [ RUN ] HelpTopicFormattingTest.FormatsCompositeTopicWithSubTopics 17: [ OK ] HelpTopicFormattingTest.FormatsCompositeTopicWithSubTopics (4 ms) 17: [----------] 2 tests from HelpTopicFormattingTest (71 ms total) 17: 17: [----------] 11 tests from HelpWriterContextTest 17: [ RUN ] HelpWriterContextTest.FormatsParagraphs 17: [ OK ] HelpWriterContextTest.FormatsParagraphs (4 ms) 17: [ RUN ] HelpWriterContextTest.FormatsRstStyleParagraphs 17: [ OK ] HelpWriterContextTest.FormatsRstStyleParagraphs (0 ms) 17: [ RUN ] HelpWriterContextTest.CleansUpExtraWhitespace 17: [ OK ] HelpWriterContextTest.CleansUpExtraWhitespace (5 ms) 17: [ RUN ] HelpWriterContextTest.FormatsLiteralText 17: [ OK ] HelpWriterContextTest.FormatsLiteralText (3 ms) 17: [ RUN ] HelpWriterContextTest.FormatsLiteralTextAtBeginning 17: [ OK ] HelpWriterContextTest.FormatsLiteralTextAtBeginning (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsLiteralTextWithIndentation 17: [ OK ] HelpWriterContextTest.FormatsLiteralTextWithIndentation (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsBulletList 17: [ OK ] HelpWriterContextTest.FormatsBulletList (5 ms) 17: [ RUN ] HelpWriterContextTest.FormatsEnumeratedList 17: [ OK ] HelpWriterContextTest.FormatsEnumeratedList (4 ms) 17: [ RUN ] HelpWriterContextTest.FormatsSimpleTable 17: [ OK ] HelpWriterContextTest.FormatsSimpleTable (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsGridTable 17: [ OK ] HelpWriterContextTest.FormatsGridTable (7 ms) 17: [ RUN ] HelpWriterContextTest.FormatsTitles 17: [ OK ] HelpWriterContextTest.FormatsTitles (1 ms) 17: [----------] 11 tests from HelpWriterContextTest (29 ms total) 17: 17: [----------] Global test environment tear-down 17: [==========] 22 tests from 4 test cases ran. (121 ms total) 17: [ PASSED ] 22 tests. 17/54 Test #17: OnlineHelpUnitTests ................. Passed 0.15 sec test 18 Start 18: OptionsUnitTests 18: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/options-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/OptionsUnitTests.xml" 18: Test timeout computed to be: 30 18: [==========] Running 110 tests from 18 test cases. 18: [----------] Global test environment set-up. 18: [----------] 5 tests from AbstractOptionStorageTest 18: [ RUN ] AbstractOptionStorageTest.HandlesSetInFinish 18: [ OK ] AbstractOptionStorageTest.HandlesSetInFinish (0 ms) 18: [ RUN ] AbstractOptionStorageTest.HandlesValueRemoval 18: [ OK ] AbstractOptionStorageTest.HandlesValueRemoval (0 ms) 18: [ RUN ] AbstractOptionStorageTest.HandlesValueAddition 18: [ OK ] AbstractOptionStorageTest.HandlesValueAddition (0 ms) 18: [ RUN ] AbstractOptionStorageTest.HandlesTooManyValueAddition 18: [ OK ] AbstractOptionStorageTest.HandlesTooManyValueAddition (1 ms) 18: [ RUN ] AbstractOptionStorageTest.AllowsEmptyValues 18: [ OK ] AbstractOptionStorageTest.AllowsEmptyValues (0 ms) 18: [----------] 5 tests from AbstractOptionStorageTest (1 ms total) 18: 18: [----------] 8 tests from FileNameOptionTest 18: [ RUN ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension 18: [ OK ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesRequiredOptionWithoutValue 18: [ OK ] FileNameOptionTest.HandlesRequiredOptionWithoutValue (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesOptionalUnsetOption 18: [ OK ] FileNameOptionTest.HandlesOptionalUnsetOption (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesOptionalDefaultValueWithoutExtension 18: [ OK ] FileNameOptionTest.HandlesOptionalDefaultValueWithoutExtension (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesRequiredCustomDefaultExtension 18: [ OK ] FileNameOptionTest.HandlesRequiredCustomDefaultExtension (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesOptionalCustomDefaultExtension 18: [ OK ] FileNameOptionTest.HandlesOptionalCustomDefaultExtension (0 ms) 18: [ RUN ] FileNameOptionTest.GivesErrorOnUnknownFileSuffix 18: [ OK ] FileNameOptionTest.GivesErrorOnUnknownFileSuffix (0 ms) 18: [ RUN ] FileNameOptionTest.GivesErrorOnInvalidFileSuffix 18: [ OK ] FileNameOptionTest.GivesErrorOnInvalidFileSuffix (0 ms) 18: [----------] 8 tests from FileNameOptionTest (0 ms total) 18: 18: [----------] 15 tests from FileNameOptionManagerTest 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtension 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtension (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingCustomDefaultExtension 18: [ OK ] FileNameOptionManagerTest.AddsMissingCustomDefaultExtension (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingGenericInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingGenericInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingRequiredInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingRequiredInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AcceptsMissingInputFileIfSpecified 18: [ OK ] FileNameOptionManagerTest.AcceptsMissingInputFileIfSpecified (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AcceptsMissingDefaultInputFileIfSpecified 18: [ OK ] FileNameOptionManagerTest.AcceptsMissingDefaultInputFileIfSpecified (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AcceptsMissingRequiredInputFileIfSpecified 18: [ OK ] FileNameOptionManagerTest.AcceptsMissingRequiredInputFileIfSpecified (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredDefaultNameBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredDefaultNameBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalDefaultNameBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalDefaultNameBasedOnExistingFile (1 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredFromDefaultNameOptionBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredFromDefaultNameOptionBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalFromDefaultNameOptionBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalFromDefaultNameOptionBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.DefaultNameOptionWorksWithoutInputChecking 18: [ OK ] FileNameOptionManagerTest.DefaultNameOptionWorksWithoutInputChecking (0 ms) 18: [----------] 15 tests from FileNameOptionManagerTest (1 ms total) 18: 18: [----------] 1 test from OptionsTest 18: [ RUN ] OptionsTest.FailsOnNonsafeStorage 18: [ OK ] OptionsTest.FailsOnNonsafeStorage (0 ms) 18: [----------] 1 test from OptionsTest (0 ms total) 18: 18: [----------] 9 tests from OptionsAssignerTest 18: [ RUN ] OptionsAssignerTest.HandlesMissingRequiredParameter 18: [ OK ] OptionsAssignerTest.HandlesMissingRequiredParameter (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesRequiredParameterWithDefaultValue 18: [ OK ] OptionsAssignerTest.HandlesRequiredParameterWithDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesInvalidMultipleParameter 18: [ OK ] OptionsAssignerTest.HandlesInvalidMultipleParameter (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesMultipleParameter 18: [ OK ] OptionsAssignerTest.HandlesMultipleParameter (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesMissingValue 18: [ OK ] OptionsAssignerTest.HandlesMissingValue (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesExtraValue 18: [ OK ] OptionsAssignerTest.HandlesExtraValue (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesGroups 18: [ OK ] OptionsAssignerTest.HandlesGroups (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesSections 18: [ OK ] OptionsAssignerTest.HandlesSections (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesMultipleSources 18: [ OK ] OptionsAssignerTest.HandlesMultipleSources (0 ms) 18: [----------] 9 tests from OptionsAssignerTest (0 ms total) 18: 18: [----------] 4 tests from OptionsAssignerBooleanTest 18: [ RUN ] OptionsAssignerBooleanTest.StoresYesValue 18: [ OK ] OptionsAssignerBooleanTest.StoresYesValue (0 ms) 18: [ RUN ] OptionsAssignerBooleanTest.SetsBooleanWithoutExplicitValue 18: [ OK ] OptionsAssignerBooleanTest.SetsBooleanWithoutExplicitValue (0 ms) 18: [ RUN ] OptionsAssignerBooleanTest.ClearsBooleanWithPrefixNo 18: [ OK ] OptionsAssignerBooleanTest.ClearsBooleanWithPrefixNo (0 ms) 18: [ RUN ] OptionsAssignerBooleanTest.HandlesBooleanWithPrefixAndValue 18: [ OK ] OptionsAssignerBooleanTest.HandlesBooleanWithPrefixAndValue (0 ms) 18: [----------] 4 tests from OptionsAssignerBooleanTest (0 ms total) 18: 18: [----------] 13 tests from OptionsAssignerIntegerTest 18: [ RUN ] OptionsAssignerIntegerTest.StoresSingleValue 18: [ OK ] OptionsAssignerIntegerTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesEmptyValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesEmptyValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesInvalidValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesInvalidValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesOverflow 18: [ OK ] OptionsAssignerIntegerTest.HandlesOverflow (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.StoresDefaultValue 18: [ OK ] OptionsAssignerIntegerTest.StoresDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.StoresDefaultValueIfSet 18: [ OK ] OptionsAssignerIntegerTest.StoresDefaultValueIfSet (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesDefaultValueIfSetWhenNotSet 18: [ OK ] OptionsAssignerIntegerTest.HandlesDefaultValueIfSetWhenNotSet (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesBothDefaultValues 18: [ OK ] OptionsAssignerIntegerTest.HandlesBothDefaultValues (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.StoresToVector 18: [ OK ] OptionsAssignerIntegerTest.StoresToVector (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectors 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectors (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectorFromSingleValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectorFromSingleValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment (0 ms) 18: [----------] 13 tests from OptionsAssignerIntegerTest (0 ms total) 18: 18: [----------] 5 tests from OptionsAssignerDoubleTest 18: [ RUN ] OptionsAssignerDoubleTest.StoresSingleValue 18: [ OK ] OptionsAssignerDoubleTest.StoresSingleValue (1 ms) 18: [ RUN ] OptionsAssignerDoubleTest.StoresValueFromFloat 18: [ OK ] OptionsAssignerDoubleTest.StoresValueFromFloat (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.HandlesEmptyValue 18: [ OK ] OptionsAssignerDoubleTest.HandlesEmptyValue (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.HandlesPreSetScaleValue 18: [ OK ] OptionsAssignerDoubleTest.HandlesPreSetScaleValue (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.HandlesPostSetScaleValue 18: [ OK ] OptionsAssignerDoubleTest.HandlesPostSetScaleValue (0 ms) 18: [----------] 5 tests from OptionsAssignerDoubleTest (1 ms total) 18: 18: [----------] 9 tests from OptionsAssignerStringTest 18: [ RUN ] OptionsAssignerStringTest.StoresSingleValue 18: [ OK ] OptionsAssignerStringTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumValue 18: [ OK ] OptionsAssignerStringTest.HandlesEnumValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumValueFromNullTerminatedArray 18: [ OK ] OptionsAssignerStringTest.HandlesEnumValueFromNullTerminatedArray (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesIncorrectEnumValue 18: [ OK ] OptionsAssignerStringTest.HandlesIncorrectEnumValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.CompletesEnumValue 18: [ OK ] OptionsAssignerStringTest.CompletesEnumValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumWithNoValue 18: [ OK ] OptionsAssignerStringTest.HandlesEnumWithNoValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumDefaultValue 18: [ OK ] OptionsAssignerStringTest.HandlesEnumDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVariable 18: [ OK ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVariable (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVector 18: [ OK ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVector (0 ms) 18: [----------] 9 tests from OptionsAssignerStringTest (0 ms total) 18: 18: [----------] 6 tests from OptionsAssignerEnumTest 18: [ RUN ] OptionsAssignerEnumTest.StoresSingleValue 18: [ OK ] OptionsAssignerEnumTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.StoresVectorValues 18: [ OK ] OptionsAssignerEnumTest.StoresVectorValues (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesInitialValueOutOfRange 18: [ OK ] OptionsAssignerEnumTest.HandlesInitialValueOutOfRange (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesEnumDefaultValue 18: [ OK ] OptionsAssignerEnumTest.HandlesEnumDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVariable 18: [ OK ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVariable (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVector 18: [ OK ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVector (0 ms) 18: [----------] 6 tests from OptionsAssignerEnumTest (0 ms total) 18: 18: [----------] 8 tests from RepeatingOptionSectionTest 18: [ RUN ] RepeatingOptionSectionTest.HandlesNoInstance 18: [ OK ] RepeatingOptionSectionTest.HandlesNoInstance (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesNoInstanceWithRequiredOption 18: [ OK ] RepeatingOptionSectionTest.HandlesNoInstanceWithRequiredOption (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesSingleInstance 18: [ OK ] RepeatingOptionSectionTest.HandlesSingleInstance (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesDefaultValue 18: [ OK ] RepeatingOptionSectionTest.HandlesDefaultValue (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesTwoInstances 18: [ OK ] RepeatingOptionSectionTest.HandlesTwoInstances (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesUnsetOptionWithImplicitDefault 18: [ OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithImplicitDefault (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesUnsetOptionWithExplicitDefault 18: [ OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithExplicitDefault (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesNestedSections 18: [ OK ] RepeatingOptionSectionTest.HandlesNestedSections (0 ms) 18: [----------] 8 tests from RepeatingOptionSectionTest (0 ms total) 18: 18: [----------] 1 test from TimeUnitManagerTest 18: [ RUN ] TimeUnitManagerTest.BasicOperations 18: [ OK ] TimeUnitManagerTest.BasicOperations (0 ms) 18: [----------] 1 test from TimeUnitManagerTest (0 ms total) 18: 18: [----------] 4 tests from TimeUnitBehaviorTest 18: [ RUN ] TimeUnitBehaviorTest.ScalesAssignedOptionValue 18: [ OK ] TimeUnitBehaviorTest.ScalesAssignedOptionValue (0 ms) 18: [ RUN ] TimeUnitBehaviorTest.DoesNotScaleDefaultValues 18: [ OK ] TimeUnitBehaviorTest.DoesNotScaleDefaultValues (0 ms) 18: [ RUN ] TimeUnitBehaviorTest.ScalesUserInputWithMultipleSources 18: [ OK ] TimeUnitBehaviorTest.ScalesUserInputWithMultipleSources (0 ms) 18: [ RUN ] TimeUnitBehaviorTest.TimeUnitOptionWorks 18: [ OK ] TimeUnitBehaviorTest.TimeUnitOptionWorks (0 ms) 18: [----------] 4 tests from TimeUnitBehaviorTest (0 ms total) 18: 18: [----------] 2 tests from TreeValueSupportAssignTest 18: [ RUN ] TreeValueSupportAssignTest.AssignsFromTree 18: [ OK ] TreeValueSupportAssignTest.AssignsFromTree (0 ms) 18: [ RUN ] TreeValueSupportAssignTest.AssignsFromTreeWithArrays 18: [ OK ] TreeValueSupportAssignTest.AssignsFromTreeWithArrays (0 ms) 18: [----------] 2 tests from TreeValueSupportAssignTest (0 ms total) 18: 18: [----------] 1 test from TreeValueSupportAssignErrorTest 18: [ RUN ] TreeValueSupportAssignErrorTest.HandlesInvalidValue 18: [ OK ] TreeValueSupportAssignErrorTest.HandlesInvalidValue (0 ms) 18: [----------] 1 test from TreeValueSupportAssignErrorTest (0 ms total) 18: 18: [----------] 5 tests from TreeValueSupportCheckTest 18: [ RUN ] TreeValueSupportCheckTest.HandlesEmpty 18: [ OK ] TreeValueSupportCheckTest.HandlesEmpty (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.HandlesMatchingTree 18: [ OK ] TreeValueSupportCheckTest.HandlesMatchingTree (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.HandlesSmallerTree1 18: [ OK ] TreeValueSupportCheckTest.HandlesSmallerTree1 (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.HandlesSmallerTree2 18: [ OK ] TreeValueSupportCheckTest.HandlesSmallerTree2 (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.DetectsExtraValue 18: [ OK ] TreeValueSupportCheckTest.DetectsExtraValue (1 ms) 18: [----------] 5 tests from TreeValueSupportCheckTest (1 ms total) 18: 18: [----------] 6 tests from TreeValueSupportAdjustTest 18: [ RUN ] TreeValueSupportAdjustTest.FillsDefaultValues 18: [ OK ] TreeValueSupportAdjustTest.FillsDefaultValues (4 ms) 18: [ RUN ] TreeValueSupportAdjustTest.FillsDefaultVectorValues 18: [ OK ] TreeValueSupportAdjustTest.FillsDefaultVectorValues (4 ms) 18: [ RUN ] TreeValueSupportAdjustTest.FillsDefaultObjectValues 18: [ OK ] TreeValueSupportAdjustTest.FillsDefaultObjectValues (8 ms) 18: [ RUN ] TreeValueSupportAdjustTest.NormalizesValues 18: [ OK ] TreeValueSupportAdjustTest.NormalizesValues (8 ms) 18: [ RUN ] TreeValueSupportAdjustTest.MergesDefaultValues 18: [ OK ] TreeValueSupportAdjustTest.MergesDefaultValues (12 ms) 18: [ RUN ] TreeValueSupportAdjustTest.OrdersValues 18: [ OK ] TreeValueSupportAdjustTest.OrdersValues (4 ms) 18: [----------] 6 tests from TreeValueSupportAdjustTest (40 ms total) 18: 18: [----------] 8 tests from TreeValueSupportTest 18: [ RUN ] TreeValueSupportTest.SupportsBooleanOption 18: [ OK ] TreeValueSupportTest.SupportsBooleanOption (4 ms) 18: [ RUN ] TreeValueSupportTest.SupportsIntegerOption 18: [ OK ] TreeValueSupportTest.SupportsIntegerOption (5 ms) 18: [ RUN ] TreeValueSupportTest.SupportsInt64Option 18: [ OK ] TreeValueSupportTest.SupportsInt64Option (0 ms) 18: [ RUN ] TreeValueSupportTest.SupportsStringOption 18: [ OK ] TreeValueSupportTest.SupportsStringOption (1 ms) 18: [ RUN ] TreeValueSupportTest.SupportsFloatOption 18: [ OK ] TreeValueSupportTest.SupportsFloatOption (0 ms) 18: [ RUN ] TreeValueSupportTest.SupportsDoubleOption 18: [ OK ] TreeValueSupportTest.SupportsDoubleOption (6 ms) 18: [ RUN ] TreeValueSupportTest.SupportsEnumIntOption 18: [ OK ] TreeValueSupportTest.SupportsEnumIntOption (1 ms) 18: [ RUN ] TreeValueSupportTest.SupportsEnumOption 18: [ OK ] TreeValueSupportTest.SupportsEnumOption (3 ms) 18: [----------] 8 tests from TreeValueSupportTest (20 ms total) 18: 18: [----------] Global test environment tear-down 18: [==========] 110 tests from 18 test cases ran. (64 ms total) 18: [ PASSED ] 110 tests. 18/54 Test #18: OptionsUnitTests .................... Passed 0.09 sec test 19 Start 19: PbcutilUnitTest 19: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/pbcutil-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/PbcutilUnitTest.xml" 19: Test timeout computed to be: 30 19: [==========] Running 3 tests from 2 test cases. 19: [----------] Global test environment set-up. 19: [----------] 1 test from PbcTest 19: [ RUN ] PbcTest.CalcShiftsWorks 19: [ OK ] PbcTest.CalcShiftsWorks (6 ms) 19: [----------] 1 test from PbcTest (6 ms total) 19: 19: [----------] 2 tests from PbcEnumsTest 19: [ RUN ] PbcEnumsTest.CenteringTypeNamesAreCorrect 19: [ OK ] PbcEnumsTest.CenteringTypeNamesAreCorrect (0 ms) 19: [ RUN ] PbcEnumsTest.UnitCellTypeNamesAreCorrect 19: [ OK ] PbcEnumsTest.UnitCellTypeNamesAreCorrect (0 ms) 19: [----------] 2 tests from PbcEnumsTest (0 ms total) 19: 19: [----------] Global test environment tear-down 19: [==========] 3 tests from 2 test cases ran. (6 ms total) 19: [ PASSED ] 3 tests. 19/54 Test #19: PbcutilUnitTest ..................... Passed 0.04 sec test 20 Start 20: RandomUnitTests 20: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/random-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/RandomUnitTests.xml" 20: Test timeout computed to be: 30 20: [==========] Running 44 tests from 10 test cases. 20: [----------] Global test environment set-up. 20: [----------] 4 tests from ExponentialDistributionTest 20: [ RUN ] ExponentialDistributionTest.Output 20: [ OK ] ExponentialDistributionTest.Output (13 ms) 20: [ RUN ] ExponentialDistributionTest.Logical 20: [ OK ] ExponentialDistributionTest.Logical (0 ms) 20: [ RUN ] ExponentialDistributionTest.Reset 20: [ OK ] ExponentialDistributionTest.Reset (0 ms) 20: [ RUN ] ExponentialDistributionTest.AltParam 20: [ OK ] ExponentialDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from ExponentialDistributionTest (13 ms total) 20: 20: [----------] 4 tests from GammaDistributionTest 20: [ RUN ] GammaDistributionTest.Output 20: [ OK ] GammaDistributionTest.Output (3 ms) 20: [ RUN ] GammaDistributionTest.Logical 20: [ OK ] GammaDistributionTest.Logical (0 ms) 20: [ RUN ] GammaDistributionTest.Reset 20: [ OK ] GammaDistributionTest.Reset (0 ms) 20: [ RUN ] GammaDistributionTest.AltParam 20: [ OK ] GammaDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from GammaDistributionTest (3 ms total) 20: 20: [----------] 4 tests from NormalDistributionTest 20: [ RUN ] NormalDistributionTest.Output 20: [ OK ] NormalDistributionTest.Output (9 ms) 20: [ RUN ] NormalDistributionTest.Logical 20: [ OK ] NormalDistributionTest.Logical (0 ms) 20: [ RUN ] NormalDistributionTest.Reset 20: [ OK ] NormalDistributionTest.Reset (0 ms) 20: [ RUN ] NormalDistributionTest.AltParam 20: [ OK ] NormalDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from NormalDistributionTest (9 ms total) 20: 20: [----------] 1 test from SeedTest 20: [ RUN ] SeedTest.makeRandomSeed 20: [ OK ] SeedTest.makeRandomSeed (1 ms) 20: [----------] 1 test from SeedTest (1 ms total) 20: 20: [----------] 6 tests from TabulatedNormalDistributionTest 20: [ RUN ] TabulatedNormalDistributionTest.Output14 20: [ OK ] TabulatedNormalDistributionTest.Output14 (10 ms) 20: [ RUN ] TabulatedNormalDistributionTest.Output16 20: [ OK ] TabulatedNormalDistributionTest.Output16 (5 ms) 20: [ RUN ] TabulatedNormalDistributionTest.OutputDouble14 20: [ OK ] TabulatedNormalDistributionTest.OutputDouble14 (0 ms) 20: [ RUN ] TabulatedNormalDistributionTest.Logical 20: [ OK ] TabulatedNormalDistributionTest.Logical (0 ms) 20: [ RUN ] TabulatedNormalDistributionTest.Reset 20: [ OK ] TabulatedNormalDistributionTest.Reset (0 ms) 20: [ RUN ] TabulatedNormalDistributionTest.AltParam 20: [ OK ] TabulatedNormalDistributionTest.AltParam (0 ms) 20: [----------] 6 tests from TabulatedNormalDistributionTest (15 ms total) 20: 20: [----------] 1 test from TabulatedNormalDistributionTableTest 20: [ RUN ] TabulatedNormalDistributionTableTest.HasValidProperties 20: [ OK ] TabulatedNormalDistributionTableTest.HasValidProperties (1 ms) 20: [----------] 1 test from TabulatedNormalDistributionTableTest (1 ms total) 20: 20: [----------] 6 tests from ThreeFry2x64Test 20: [ RUN ] ThreeFry2x64Test.Logical 20: [ OK ] ThreeFry2x64Test.Logical (0 ms) 20: [ RUN ] ThreeFry2x64Test.InternalCounterSequence 20: [ OK ] ThreeFry2x64Test.InternalCounterSequence (3 ms) 20: [ RUN ] ThreeFry2x64Test.Reseed 20: [ OK ] ThreeFry2x64Test.Reseed (0 ms) 20: [ RUN ] ThreeFry2x64Test.Discard 20: [ OK ] ThreeFry2x64Test.Discard (0 ms) 20: [ RUN ] ThreeFry2x64Test.InvalidCounter 20: [ OK ] ThreeFry2x64Test.InvalidCounter (0 ms) 20: [ RUN ] ThreeFry2x64Test.ExhaustInternalCounter 20: [ OK ] ThreeFry2x64Test.ExhaustInternalCounter (1 ms) 20: [----------] 6 tests from ThreeFry2x64Test (4 ms total) 20: 20: [----------] 4 tests from UniformIntDistributionTest 20: [ RUN ] UniformIntDistributionTest.Output 20: [ OK ] UniformIntDistributionTest.Output (0 ms) 20: [ RUN ] UniformIntDistributionTest.Logical 20: [ OK ] UniformIntDistributionTest.Logical (0 ms) 20: [ RUN ] UniformIntDistributionTest.Reset 20: [ OK ] UniformIntDistributionTest.Reset (0 ms) 20: [ RUN ] UniformIntDistributionTest.AltParam 20: [ OK ] UniformIntDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from UniformIntDistributionTest (0 ms total) 20: 20: [----------] 5 tests from UniformRealDistributionTest 20: [ RUN ] UniformRealDistributionTest.GenerateCanonical 20: [ OK ] UniformRealDistributionTest.GenerateCanonical (3 ms) 20: [ RUN ] UniformRealDistributionTest.Output 20: [ OK ] UniformRealDistributionTest.Output (0 ms) 20: [ RUN ] UniformRealDistributionTest.Logical 20: [ OK ] UniformRealDistributionTest.Logical (0 ms) 20: [ RUN ] UniformRealDistributionTest.Reset 20: [ OK ] UniformRealDistributionTest.Reset (0 ms) 20: [ RUN ] UniformRealDistributionTest.AltParam 20: [ OK ] UniformRealDistributionTest.AltParam (0 ms) 20: [----------] 5 tests from UniformRealDistributionTest (3 ms total) 20: 20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Default/0 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Default/0 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Default/1 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Default/1 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Default/2 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Default/2 (3 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Fast/0 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/0 (3 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Fast/1 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/1 (6 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Fast/2 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/2 (1 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/0 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/0 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/1 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/1 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2 (0 ms) 20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (13 ms total) 20: 20: [----------] Global test environment tear-down 20: [==========] 44 tests from 10 test cases ran. (62 ms total) 20: [ PASSED ] 44 tests. 20/54 Test #20: RandomUnitTests ..................... Passed 0.09 sec test 21 Start 21: RestraintTests 21: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/restraintpotential-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/RestraintTests.xml" 21: Test timeout computed to be: 30 21: [==========] Running 1 test from 1 test case. 21: [----------] Global test environment set-up. 21: [----------] 1 test from RestraintManager 21: [ RUN ] RestraintManager.restraintList 21: [ OK ] RestraintManager.restraintList (0 ms) 21: [----------] 1 test from RestraintManager (0 ms total) 21: 21: [----------] Global test environment tear-down 21: [==========] 1 test from 1 test case ran. (0 ms total) 21: [ PASSED ] 1 test. 21/54 Test #21: RestraintTests ...................... Passed 0.03 sec test 22 Start 22: TableUnitTests 22: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/table-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/TableUnitTests.xml" 22: Test timeout computed to be: 30 22: [==========] Running 20 tests from 2 test cases. 22: [----------] Global test environment set-up. 22: [----------] 10 tests from SplineTableTest/0, where TypeParam = gmx::QuadraticSplineTable 22: [ RUN ] SplineTableTest/0.HandlesIncorrectInput 22: [ OK ] SplineTableTest/0.HandlesIncorrectInput (1 ms) 22: [ RUN ] SplineTableTest/0.Sinc 22: [ OK ] SplineTableTest/0.Sinc (1 ms) 22: [ RUN ] SplineTableTest/0.LJ12 22: [ OK ] SplineTableTest/0.LJ12 (18 ms) 22: [ RUN ] SplineTableTest/0.PmeCorrection 22: [ OK ] SplineTableTest/0.PmeCorrection (1 ms) 22: [ RUN ] SplineTableTest/0.HandlesIncorrectNumericalInput 22: [ OK ] SplineTableTest/0.HandlesIncorrectNumericalInput (1 ms) 22: [ RUN ] SplineTableTest/0.NumericalInputPmeCorr 22: [ OK ] SplineTableTest/0.NumericalInputPmeCorr (1 ms) 22: [ RUN ] SplineTableTest/0.TwoFunctions 22: [ OK ] SplineTableTest/0.TwoFunctions (34 ms) 22: [ RUN ] SplineTableTest/0.ThreeFunctions 22: [ OK ] SplineTableTest/0.ThreeFunctions (36 ms) 22: [ RUN ] SplineTableTest/0.Simd 22: [ OK ] SplineTableTest/0.Simd (8 ms) 22: [ RUN ] SplineTableTest/0.SimdTwoFunctions 22: [ OK ] SplineTableTest/0.SimdTwoFunctions (52 ms) 22: [----------] 10 tests from SplineTableTest/0 (153 ms total) 22: 22: [----------] 10 tests from SplineTableTest/1, where TypeParam = gmx::CubicSplineTable 22: [ RUN ] SplineTableTest/1.HandlesIncorrectInput 22: [ OK ] SplineTableTest/1.HandlesIncorrectInput (1 ms) 22: [ RUN ] SplineTableTest/1.Sinc 22: [ OK ] SplineTableTest/1.Sinc (2 ms) 22: [ RUN ] SplineTableTest/1.LJ12 22: [ OK ] SplineTableTest/1.LJ12 (45 ms) 22: [ RUN ] SplineTableTest/1.PmeCorrection 22: [ OK ] SplineTableTest/1.PmeCorrection (27 ms) 22: [ RUN ] SplineTableTest/1.HandlesIncorrectNumericalInput 22: [ OK ] SplineTableTest/1.HandlesIncorrectNumericalInput (0 ms) 22: [ RUN ] SplineTableTest/1.NumericalInputPmeCorr 22: [ OK ] SplineTableTest/1.NumericalInputPmeCorr (2 ms) 22: [ RUN ] SplineTableTest/1.TwoFunctions 22: [ OK ] SplineTableTest/1.TwoFunctions (132 ms) 22: [ RUN ] SplineTableTest/1.ThreeFunctions 22: [ OK ] SplineTableTest/1.ThreeFunctions (126 ms) 22: [ RUN ] SplineTableTest/1.Simd 22: [ OK ] SplineTableTest/1.Simd (40 ms) 22: [ RUN ] SplineTableTest/1.SimdTwoFunctions 22: [ OK ] SplineTableTest/1.SimdTwoFunctions (62 ms) 22: [----------] 10 tests from SplineTableTest/1 (438 ms total) 22: 22: [----------] Global test environment tear-down 22: [==========] 20 tests from 2 test cases ran. (591 ms total) 22: [ PASSED ] 20 tests. 22/54 Test #22: TableUnitTests ...................... Passed 0.62 sec test 23 Start 23: TaskAssignmentUnitTests 23: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/taskassignment-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/TaskAssignmentUnitTests.xml" 23: Test timeout computed to be: 30 23: [==========] Running 3 tests from 2 test cases. 23: [----------] Global test environment set-up. 23: [----------] 2 tests from UserTaskAssignmentStringHandlingTest 23: [ RUN ] UserTaskAssignmentStringHandlingTest.ParsingAndReconstructionWork 23: [ OK ] UserTaskAssignmentStringHandlingTest.ParsingAndReconstructionWork (0 ms) 23: [ RUN ] UserTaskAssignmentStringHandlingTest.EmptyStringCanBeValid 23: [ OK ] UserTaskAssignmentStringHandlingTest.EmptyStringCanBeValid (0 ms) 23: [----------] 2 tests from UserTaskAssignmentStringHandlingTest (0 ms total) 23: 23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest 23: [ RUN ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow 23: [ OK ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow (1 ms) 23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest (1 ms total) 23: 23: [----------] Global test environment tear-down 23: [==========] 3 tests from 2 test cases ran. (1 ms total) 23: [ PASSED ] 3 tests. 23/54 Test #23: TaskAssignmentUnitTests ............. Passed 0.03 sec test 24 Start 24: TopologyTest 24: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/topology-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/TopologyTest.xml" 24: Test timeout computed to be: 30 24: [==========] Running 11 tests from 3 test cases. 24: [----------] Global test environment set-up. 24: [----------] 3 tests from ExclusionBlockTest 24: [ RUN ] ExclusionBlockTest.ConvertBlockAToExclusionBlocks 24: [ OK ] ExclusionBlockTest.ConvertBlockAToExclusionBlocks (0 ms) 24: [ RUN ] ExclusionBlockTest.ConvertExclusionBlockToBlocka 24: [ OK ] ExclusionBlockTest.ConvertExclusionBlockToBlocka (0 ms) 24: [ RUN ] ExclusionBlockTest.MergeExclusions 24: [ OK ] ExclusionBlockTest.MergeExclusions (0 ms) 24: [----------] 3 tests from ExclusionBlockTest (0 ms total) 24: 24: [----------] 2 tests from MtopTest 24: [ RUN ] MtopTest.RangeBasedLoop 24: [ OK ] MtopTest.RangeBasedLoop (0 ms) 24: [ RUN ] MtopTest.Operators 24: [ OK ] MtopTest.Operators (0 ms) 24: [----------] 2 tests from MtopTest (0 ms total) 24: 24: [----------] 6 tests from SymtabTest 24: [ RUN ] SymtabTest.EmptyOnOpen 24: [ OK ] SymtabTest.EmptyOnOpen (12 ms) 24: [ RUN ] SymtabTest.AddSingleEntry 24: [ OK ] SymtabTest.AddSingleEntry (0 ms) 24: [ RUN ] SymtabTest.AddTwoDistinctEntries 24: [ OK ] SymtabTest.AddTwoDistinctEntries (0 ms) 24: [ RUN ] SymtabTest.TryToAddDuplicates 24: [ OK ] SymtabTest.TryToAddDuplicates (0 ms) 24: [ RUN ] SymtabTest.AddLargeNumberOfEntries 24: [ OK ] SymtabTest.AddLargeNumberOfEntries (7 ms) 24: [ RUN ] SymtabTest.NoDuplicatesInLargeTable 24: [ OK ] SymtabTest.NoDuplicatesInLargeTable (4 ms) 24: [----------] 6 tests from SymtabTest (23 ms total) 24: 24: [----------] Global test environment tear-down 24: [==========] 11 tests from 3 test cases ran. (23 ms total) 24: [ PASSED ] 11 tests. 24/54 Test #24: TopologyTest ........................ Passed 0.09 sec test 25 Start 25: PullTest 25: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/pull-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/PullTest.xml" 25: Test timeout computed to be: 30 25: [==========] Running 5 tests from 1 test case. 25: [----------] Global test environment set-up. 25: [----------] 5 tests from PullTest 25: [ RUN ] PullTest.MaxPullDistanceXyzScrewBox 25: [ OK ] PullTest.MaxPullDistanceXyzScrewBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXyzCubicBox 25: [ OK ] PullTest.MaxPullDistanceXyzCubicBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXyzTricBox 25: [ OK ] PullTest.MaxPullDistanceXyzTricBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXyzLongBox 25: [ OK ] PullTest.MaxPullDistanceXyzLongBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXySkewedBox 25: [ OK ] PullTest.MaxPullDistanceXySkewedBox (0 ms) 25: [----------] 5 tests from PullTest (0 ms total) 25: 25: [----------] Global test environment tear-down 25: [==========] 5 tests from 1 test case ran. (1 ms total) 25: [ PASSED ] 5 tests. 25/54 Test #25: PullTest ............................ Passed 0.05 sec test 26 Start 26: AwhTest 26: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/awh-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/AwhTest.xml" 26: Test timeout computed to be: 30 26: [==========] Running 12 tests from 4 test cases. 26: [----------] Global test environment set-up. 26: [----------] 1 test from BiasTest 26: [ RUN ] BiasTest.DetectsCovering 26: [ OK ] BiasTest.DetectsCovering (0 ms) 26: [----------] 1 test from BiasTest (0 ms total) 26: 26: [----------] 1 test from gridTest 26: [ RUN ] gridTest.neighborhood 26: [ OK ] gridTest.neighborhood (2 ms) 26: [----------] 1 test from gridTest (2 ms total) 26: 26: [----------] 8 tests from WithParameters/BiasTest 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/0 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/0 (7 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/1 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/1 (8 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/2 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/2 (7 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/3 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/3 (4 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/4 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/4 (3 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/5 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/5 (13 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/6 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/6 (3 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/7 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/7 (4 ms) 26: [----------] 8 tests from WithParameters/BiasTest (50 ms total) 26: 26: [----------] 2 tests from WithParameters/BiasStateTest 26: [ RUN ] WithParameters/BiasStateTest.InitializesFromFile/0 26: [ OK ] WithParameters/BiasStateTest.InitializesFromFile/0 (7 ms) 26: [ RUN ] WithParameters/BiasStateTest.InitializesFromFile/1 26: [ OK ] WithParameters/BiasStateTest.InitializesFromFile/1 (3 ms) 26: [----------] 2 tests from WithParameters/BiasStateTest (10 ms total) 26: 26: [----------] Global test environment tear-down 26: [==========] 12 tests from 4 test cases ran. (62 ms total) 26: [ PASSED ] 12 tests. 26/54 Test #26: AwhTest ............................. Passed 0.09 sec test 27 Start 27: SimdUnitTests 27: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/simd-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/SimdUnitTests.xml" 27: Test timeout computed to be: 30 27: [==========] Running 247 tests from 19 test cases. 27: [----------] Global test environment set-up. 27: [----------] 6 tests from SimdBootstrapTest 27: [ RUN ] SimdBootstrapTest.loadStore 27: [ OK ] SimdBootstrapTest.loadStore (0 ms) 27: [ RUN ] SimdBootstrapTest.loadU 27: [ OK ] SimdBootstrapTest.loadU (0 ms) 27: [ RUN ] SimdBootstrapTest.storeU 27: [ OK ] SimdBootstrapTest.storeU (0 ms) 27: [ RUN ] SimdBootstrapTest.loadStoreI 27: [ OK ] SimdBootstrapTest.loadStoreI (0 ms) 27: [ RUN ] SimdBootstrapTest.loadUI 27: [ OK ] SimdBootstrapTest.loadUI (0 ms) 27: [ RUN ] SimdBootstrapTest.storeUI 27: [ OK ] SimdBootstrapTest.storeUI (0 ms) 27: [----------] 6 tests from SimdBootstrapTest (0 ms total) 27: 27: [----------] 1 test from SimdTest 27: [ RUN ] SimdTest.GmxAligned 27: [ OK ] SimdTest.GmxAligned (0 ms) 27: [----------] 1 test from SimdTest (0 ms total) 27: 27: [----------] 42 tests from SimdFloatingpointTest 27: [ RUN ] SimdFloatingpointTest.setZero 27: [ OK ] SimdFloatingpointTest.setZero (0 ms) 27: [ RUN ] SimdFloatingpointTest.set 27: [ OK ] SimdFloatingpointTest.set (0 ms) 27: [ RUN ] SimdFloatingpointTest.add 27: [ OK ] SimdFloatingpointTest.add (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskAdd 27: [ OK ] SimdFloatingpointTest.maskAdd (0 ms) 27: [ RUN ] SimdFloatingpointTest.sub 27: [ OK ] SimdFloatingpointTest.sub (0 ms) 27: [ RUN ] SimdFloatingpointTest.mul 27: [ OK ] SimdFloatingpointTest.mul (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzMul 27: [ OK ] SimdFloatingpointTest.maskzMul (0 ms) 27: [ RUN ] SimdFloatingpointTest.fma 27: [ OK ] SimdFloatingpointTest.fma (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzFma 27: [ OK ] SimdFloatingpointTest.maskzFma (0 ms) 27: [ RUN ] SimdFloatingpointTest.fms 27: [ OK ] SimdFloatingpointTest.fms (0 ms) 27: [ RUN ] SimdFloatingpointTest.fnma 27: [ OK ] SimdFloatingpointTest.fnma (0 ms) 27: [ RUN ] SimdFloatingpointTest.fnms 27: [ OK ] SimdFloatingpointTest.fnms (0 ms) 27: [ RUN ] SimdFloatingpointTest.abs 27: [ OK ] SimdFloatingpointTest.abs (0 ms) 27: [ RUN ] SimdFloatingpointTest.neg 27: [ OK ] SimdFloatingpointTest.neg (0 ms) 27: [ RUN ] SimdFloatingpointTest.and 27: [ OK ] SimdFloatingpointTest.and (0 ms) 27: [ RUN ] SimdFloatingpointTest.or 27: [ OK ] SimdFloatingpointTest.or (0 ms) 27: [ RUN ] SimdFloatingpointTest.xor 27: [ OK ] SimdFloatingpointTest.xor (0 ms) 27: [ RUN ] SimdFloatingpointTest.andNot 27: [ OK ] SimdFloatingpointTest.andNot (0 ms) 27: [ RUN ] SimdFloatingpointTest.max 27: [ OK ] SimdFloatingpointTest.max (0 ms) 27: [ RUN ] SimdFloatingpointTest.min 27: [ OK ] SimdFloatingpointTest.min (0 ms) 27: [ RUN ] SimdFloatingpointTest.round 27: [ OK ] SimdFloatingpointTest.round (0 ms) 27: [ RUN ] SimdFloatingpointTest.roundMode 27: [ OK ] SimdFloatingpointTest.roundMode (0 ms) 27: [ RUN ] SimdFloatingpointTest.trunc 27: [ OK ] SimdFloatingpointTest.trunc (0 ms) 27: [ RUN ] SimdFloatingpointTest.frexp 27: [ OK ] SimdFloatingpointTest.frexp (0 ms) 27: [ RUN ] SimdFloatingpointTest.ldexp 27: [ OK ] SimdFloatingpointTest.ldexp (0 ms) 27: [ RUN ] SimdFloatingpointTest.rsqrt 27: [ OK ] SimdFloatingpointTest.rsqrt (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzRsqrt 27: [ OK ] SimdFloatingpointTest.maskzRsqrt (0 ms) 27: [ RUN ] SimdFloatingpointTest.rcp 27: [ OK ] SimdFloatingpointTest.rcp (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzRcp 27: [ OK ] SimdFloatingpointTest.maskzRcp (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpEqAndSelectByMask 27: [ OK ] SimdFloatingpointTest.cmpEqAndSelectByMask (0 ms) 27: [ RUN ] SimdFloatingpointTest.selectByNotMask 27: [ OK ] SimdFloatingpointTest.selectByNotMask (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpNe 27: [ OK ] SimdFloatingpointTest.cmpNe (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpLe 27: [ OK ] SimdFloatingpointTest.cmpLe (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpLt 27: [ OK ] SimdFloatingpointTest.cmpLt (0 ms) 27: [ RUN ] SimdFloatingpointTest.testBits 27: [ OK ] SimdFloatingpointTest.testBits (0 ms) 27: [ RUN ] SimdFloatingpointTest.andB 27: [ OK ] SimdFloatingpointTest.andB (0 ms) 27: [ RUN ] SimdFloatingpointTest.orB 27: [ OK ] SimdFloatingpointTest.orB (0 ms) 27: [ RUN ] SimdFloatingpointTest.anyTrueB 27: [ OK ] SimdFloatingpointTest.anyTrueB (0 ms) 27: [ RUN ] SimdFloatingpointTest.blend 27: [ OK ] SimdFloatingpointTest.blend (0 ms) 27: [ RUN ] SimdFloatingpointTest.reduce 27: [ OK ] SimdFloatingpointTest.reduce (0 ms) 27: [ RUN ] SimdFloatingpointTest.cvtFloat2Double 27: [ OK ] SimdFloatingpointTest.cvtFloat2Double (0 ms) 27: [ RUN ] SimdFloatingpointTest.cvtDouble2Float 27: [ OK ] SimdFloatingpointTest.cvtDouble2Float (0 ms) 27: [----------] 42 tests from SimdFloatingpointTest (0 ms total) 27: 27: [----------] 13 tests from SimdFloatingpointUtilTest 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadTranspose4 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadTranspose4 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadTranspose2 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadTranspose2 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadUTranspose3 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadUTranspose3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterStoreU3 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterStoreU3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterIncrU3 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterIncrU3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterIncrU3Overlapping 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterIncrU3Overlapping (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterDecrU3 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterDecrU3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterDecrU3Overlapping 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterDecrU3Overlapping (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.expandScalarsToTriplets 27: [ OK ] SimdFloatingpointUtilTest.expandScalarsToTriplets (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose4 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose4 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose2 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose2 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadUBySimdIntTranspose2 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadUBySimdIntTranspose2 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.reduceIncr4Sum 27: [ OK ] SimdFloatingpointUtilTest.reduceIncr4Sum (0 ms) 27: [----------] 13 tests from SimdFloatingpointUtilTest (0 ms total) 27: 27: [----------] 3 tests from SimdVectorOperationsTest 27: [ RUN ] SimdVectorOperationsTest.iprod 27: [ OK ] SimdVectorOperationsTest.iprod (0 ms) 27: [ RUN ] SimdVectorOperationsTest.norm2 27: [ OK ] SimdVectorOperationsTest.norm2 (0 ms) 27: [ RUN ] SimdVectorOperationsTest.cprod 27: [ OK ] SimdVectorOperationsTest.cprod (0 ms) 27: [----------] 3 tests from SimdVectorOperationsTest (0 ms total) 27: 27: [----------] 56 tests from SimdMathTest 27: [ RUN ] SimdMathTest.generateTestPointsDouble 27: [ OK ] SimdMathTest.generateTestPointsDouble (20 ms) 27: [ RUN ] SimdMathTest.copysign 27: [ OK ] SimdMathTest.copysign (0 ms) 27: [ RUN ] SimdMathTest.invsqrt 27: [ OK ] SimdMathTest.invsqrt (1 ms) 27: [ RUN ] SimdMathTest.maskzInvsqrt 27: [ OK ] SimdMathTest.maskzInvsqrt (0 ms) 27: [ RUN ] SimdMathTest.invsqrtPair 27: [ OK ] SimdMathTest.invsqrtPair (2 ms) 27: [ RUN ] SimdMathTest.sqrt 27: [ OK ] SimdMathTest.sqrt (2 ms) 27: [ RUN ] SimdMathTest.sqrtUnsafe 27: [ OK ] SimdMathTest.sqrtUnsafe (1 ms) 27: [ RUN ] SimdMathTest.inv 27: [ OK ] SimdMathTest.inv (3 ms) 27: [ RUN ] SimdMathTest.maskzInv 27: [ OK ] SimdMathTest.maskzInv (0 ms) 27: [ RUN ] SimdMathTest.cbrt 27: [ OK ] SimdMathTest.cbrt (2 ms) 27: [ RUN ] SimdMathTest.invcbrt 27: [ OK ] SimdMathTest.invcbrt (4 ms) 27: [ RUN ] SimdMathTest.log2 27: [ OK ] SimdMathTest.log2 (1 ms) 27: [ RUN ] SimdMathTest.log 27: [ OK ] SimdMathTest.log (1 ms) 27: [ RUN ] SimdMathTest.exp2 27: [ OK ] SimdMathTest.exp2 (3 ms) 27: [ RUN ] SimdMathTest.exp2Unsafe 27: [ OK ] SimdMathTest.exp2Unsafe (0 ms) 27: [ RUN ] SimdMathTest.exp 27: [ OK ] SimdMathTest.exp (4 ms) 27: [ RUN ] SimdMathTest.expUnsafe 27: [ OK ] SimdMathTest.expUnsafe (1 ms) 27: [ RUN ] SimdMathTest.pow 27: [ OK ] SimdMathTest.pow (0 ms) 27: [ RUN ] SimdMathTest.powUnsafe 27: [ OK ] SimdMathTest.powUnsafe (0 ms) 27: [ RUN ] SimdMathTest.erf 27: [ OK ] SimdMathTest.erf (1 ms) 27: [ RUN ] SimdMathTest.erfc 27: [ OK ] SimdMathTest.erfc (1 ms) 27: [ RUN ] SimdMathTest.sin 27: [ OK ] SimdMathTest.sin (1 ms) 27: [ RUN ] SimdMathTest.cos 27: [ OK ] SimdMathTest.cos (2 ms) 27: [ RUN ] SimdMathTest.tan 27: [ OK ] SimdMathTest.tan (2 ms) 27: [ RUN ] SimdMathTest.asin 27: [ OK ] SimdMathTest.asin (1 ms) 27: [ RUN ] SimdMathTest.acos 27: [ OK ] SimdMathTest.acos (1 ms) 27: [ RUN ] SimdMathTest.atan 27: [ OK ] SimdMathTest.atan (9 ms) 27: [ RUN ] SimdMathTest.atan2 27: [ OK ] SimdMathTest.atan2 (0 ms) 27: [ RUN ] SimdMathTest.pmeForceCorrection 27: [ OK ] SimdMathTest.pmeForceCorrection (1 ms) 27: [ RUN ] SimdMathTest.pmePotentialCorrection 27: [ OK ] SimdMathTest.pmePotentialCorrection (0 ms) 27: [ RUN ] SimdMathTest.invsqrtSingleAccuracy 27: [ OK ] SimdMathTest.invsqrtSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.invsqrtPairSingleAccuracy 27: [ OK ] SimdMathTest.invsqrtPairSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.sqrtSingleAccuracy 27: [ OK ] SimdMathTest.sqrtSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.sqrtSingleAccuracyUnsafe 27: [ OK ] SimdMathTest.sqrtSingleAccuracyUnsafe (0 ms) 27: [ RUN ] SimdMathTest.invSingleAccuracy 27: [ OK ] SimdMathTest.invSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.cbrtSingleAccuracy 27: [ OK ] SimdMathTest.cbrtSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.invcbrtSingleAccuracy 27: [ OK ] SimdMathTest.invcbrtSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.log2SingleAccuracy 27: [ OK ] SimdMathTest.log2SingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.logSingleAccuracy 27: [ OK ] SimdMathTest.logSingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.exp2SingleAccuracy 27: [ OK ] SimdMathTest.exp2SingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.exp2SingleAccuracyUnsafe 27: [ OK ] SimdMathTest.exp2SingleAccuracyUnsafe (1 ms) 27: [ RUN ] SimdMathTest.expSingleAccuracy 27: [ OK ] SimdMathTest.expSingleAccuracy (3 ms) 27: [ RUN ] SimdMathTest.expSingleAccuracyUnsafe 27: [ OK ] SimdMathTest.expSingleAccuracyUnsafe (0 ms) 27: [ RUN ] SimdMathTest.powSingleAccuracy 27: [ OK ] SimdMathTest.powSingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.powSingleAccuracyUnsafe 27: [ OK ] SimdMathTest.powSingleAccuracyUnsafe (0 ms) 27: [ RUN ] SimdMathTest.erfSingleAccuracy 27: [ OK ] SimdMathTest.erfSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.erfcSingleAccuracy 27: [ OK ] SimdMathTest.erfcSingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.sinSingleAccuracy 27: [ OK ] SimdMathTest.sinSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.cosSingleAccuracy 27: [ OK ] SimdMathTest.cosSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.tanSingleAccuracy 27: [ OK ] SimdMathTest.tanSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.asinSingleAccuracy 27: [ OK ] SimdMathTest.asinSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.acosSingleAccuracy 27: [ OK ] SimdMathTest.acosSingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.atanSingleAccuracy 27: [ OK ] SimdMathTest.atanSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.atan2SingleAccuracy 27: [ OK ] SimdMathTest.atan2SingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.pmeForceCorrectionSingleAccuracy 27: [ OK ] SimdMathTest.pmeForceCorrectionSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.pmePotentialCorrectionSingleAccuracy 27: [ OK ] SimdMathTest.pmePotentialCorrectionSingleAccuracy (1 ms) 27: [----------] 56 tests from SimdMathTest (89 ms total) 27: 27: [----------] 1 test from EmptyArrayRefTest 27: [ RUN ] EmptyArrayRefTest.IsEmpty 27: [ OK ] EmptyArrayRefTest.IsEmpty (0 ms) 27: [----------] 1 test from EmptyArrayRefTest (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/0, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/0.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/0.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/0.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/0.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/0.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/0.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/0 (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/1, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/1.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/1.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/1.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/1.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/1.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/1.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/1 (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/2, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/2.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/2.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/2.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/2.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/2.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/2.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/2 (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/3, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/3.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/3.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/3.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/3.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/3.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/3.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/3 (0 ms total) 27: 27: [----------] 1 test from ArrayRefReadWriteTest/0, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefReadWriteTest/0.Assignment 27: [ OK ] ArrayRefReadWriteTest/0.Assignment (0 ms) 27: [----------] 1 test from ArrayRefReadWriteTest/0 (0 ms total) 27: 27: [----------] 1 test from ArrayRefReadWriteTest/1, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefReadWriteTest/1.Assignment 27: [ OK ] ArrayRefReadWriteTest/1.Assignment (0 ms) 27: [----------] 1 test from ArrayRefReadWriteTest/1 (0 ms total) 27: 27: [----------] 1 test from ArrayRefArithmeticTest/0, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefArithmeticTest/0.Basic 27: [ OK ] ArrayRefArithmeticTest/0.Basic (0 ms) 27: [----------] 1 test from ArrayRefArithmeticTest/0 (0 ms total) 27: 27: [----------] 1 test from ArrayRefArithmeticTest/1, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefArithmeticTest/1.Basic 27: [ OK ] ArrayRefArithmeticTest/1.Basic (0 ms) 27: [----------] 1 test from ArrayRefArithmeticTest/1 (0 ms total) 27: 27: [----------] 23 tests from SimdIntegerTest 27: [ RUN ] SimdIntegerTest.setZero 27: [ OK ] SimdIntegerTest.setZero (0 ms) 27: [ RUN ] SimdIntegerTest.set 27: [ OK ] SimdIntegerTest.set (0 ms) 27: [ RUN ] SimdIntegerTest.add 27: [ OK ] SimdIntegerTest.add (0 ms) 27: [ RUN ] SimdIntegerTest.sub 27: [ OK ] SimdIntegerTest.sub (0 ms) 27: [ RUN ] SimdIntegerTest.mul 27: [ OK ] SimdIntegerTest.mul (0 ms) 27: [ RUN ] SimdIntegerTest.and 27: [ OK ] SimdIntegerTest.and (0 ms) 27: [ RUN ] SimdIntegerTest.andNot 27: [ OK ] SimdIntegerTest.andNot (0 ms) 27: [ RUN ] SimdIntegerTest.or 27: [ OK ] SimdIntegerTest.or (0 ms) 27: [ RUN ] SimdIntegerTest.xor 27: [ OK ] SimdIntegerTest.xor (0 ms) 27: [ RUN ] SimdIntegerTest.extract 27: [ OK ] SimdIntegerTest.extract (0 ms) 27: [ RUN ] SimdIntegerTest.cvtR2I 27: [ OK ] SimdIntegerTest.cvtR2I (0 ms) 27: [ RUN ] SimdIntegerTest.cvttR2I 27: [ OK ] SimdIntegerTest.cvttR2I (0 ms) 27: [ RUN ] SimdIntegerTest.cvtI2R 27: [ OK ] SimdIntegerTest.cvtI2R (0 ms) 27: [ RUN ] SimdIntegerTest.cmpEqAndSelectMask 27: [ OK ] SimdIntegerTest.cmpEqAndSelectMask (0 ms) 27: [ RUN ] SimdIntegerTest.cmpEqAndSelectNotMask 27: [ OK ] SimdIntegerTest.cmpEqAndSelectNotMask (0 ms) 27: [ RUN ] SimdIntegerTest.cmpLt 27: [ OK ] SimdIntegerTest.cmpLt (0 ms) 27: [ RUN ] SimdIntegerTest.testBits 27: [ OK ] SimdIntegerTest.testBits (0 ms) 27: [ RUN ] SimdIntegerTest.andB 27: [ OK ] SimdIntegerTest.andB (0 ms) 27: [ RUN ] SimdIntegerTest.orB 27: [ OK ] SimdIntegerTest.orB (0 ms) 27: [ RUN ] SimdIntegerTest.anyTrue 27: [ OK ] SimdIntegerTest.anyTrue (0 ms) 27: [ RUN ] SimdIntegerTest.blend 27: [ OK ] SimdIntegerTest.blend (0 ms) 27: [ RUN ] SimdIntegerTest.cvtB2IB 27: [ OK ] SimdIntegerTest.cvtB2IB (0 ms) 27: [ RUN ] SimdIntegerTest.cvtIB2B 27: [ OK ] SimdIntegerTest.cvtIB2B (0 ms) 27: [----------] 23 tests from SimdIntegerTest (0 ms total) 27: 27: [----------] 41 tests from SimdScalarTest 27: [ RUN ] SimdScalarTest.load 27: [ OK ] SimdScalarTest.load (0 ms) 27: [ RUN ] SimdScalarTest.loadU 27: [ OK ] SimdScalarTest.loadU (0 ms) 27: [ RUN ] SimdScalarTest.store 27: [ OK ] SimdScalarTest.store (0 ms) 27: [ RUN ] SimdScalarTest.storeU 27: [ OK ] SimdScalarTest.storeU (0 ms) 27: [ RUN ] SimdScalarTest.setZero 27: [ OK ] SimdScalarTest.setZero (0 ms) 27: [ RUN ] SimdScalarTest.andNot 27: [ OK ] SimdScalarTest.andNot (0 ms) 27: [ RUN ] SimdScalarTest.fma 27: [ OK ] SimdScalarTest.fma (0 ms) 27: [ RUN ] SimdScalarTest.fms 27: [ OK ] SimdScalarTest.fms (0 ms) 27: [ RUN ] SimdScalarTest.fnma 27: [ OK ] SimdScalarTest.fnma (0 ms) 27: [ RUN ] SimdScalarTest.fnms 27: [ OK ] SimdScalarTest.fnms (0 ms) 27: [ RUN ] SimdScalarTest.maskAdd 27: [ OK ] SimdScalarTest.maskAdd (0 ms) 27: [ RUN ] SimdScalarTest.maskzMul 27: [ OK ] SimdScalarTest.maskzMul (0 ms) 27: [ RUN ] SimdScalarTest.maskzFma 27: [ OK ] SimdScalarTest.maskzFma (0 ms) 27: [ RUN ] SimdScalarTest.abs 27: [ OK ] SimdScalarTest.abs (0 ms) 27: [ RUN ] SimdScalarTest.max 27: [ OK ] SimdScalarTest.max (0 ms) 27: [ RUN ] SimdScalarTest.min 27: [ OK ] SimdScalarTest.min (0 ms) 27: [ RUN ] SimdScalarTest.round 27: [ OK ] SimdScalarTest.round (0 ms) 27: [ RUN ] SimdScalarTest.trunc 27: [ OK ] SimdScalarTest.trunc (0 ms) 27: [ RUN ] SimdScalarTest.reduce 27: [ OK ] SimdScalarTest.reduce (0 ms) 27: [ RUN ] SimdScalarTest.testBits 27: [ OK ] SimdScalarTest.testBits (0 ms) 27: [ RUN ] SimdScalarTest.anyTrue 27: [ OK ] SimdScalarTest.anyTrue (0 ms) 27: [ RUN ] SimdScalarTest.selectByMask 27: [ OK ] SimdScalarTest.selectByMask (0 ms) 27: [ RUN ] SimdScalarTest.selectByNotMask 27: [ OK ] SimdScalarTest.selectByNotMask (0 ms) 27: [ RUN ] SimdScalarTest.blend 27: [ OK ] SimdScalarTest.blend (0 ms) 27: [ RUN ] SimdScalarTest.cvtR2I 27: [ OK ] SimdScalarTest.cvtR2I (0 ms) 27: [ RUN ] SimdScalarTest.cvttR2I 27: [ OK ] SimdScalarTest.cvttR2I (0 ms) 27: [ RUN ] SimdScalarTest.cvtI2R 27: [ OK ] SimdScalarTest.cvtI2R (0 ms) 27: [ RUN ] SimdScalarTest.cvtF2D 27: [ OK ] SimdScalarTest.cvtF2D (0 ms) 27: [ RUN ] SimdScalarTest.cvtD2D 27: [ OK ] SimdScalarTest.cvtD2D (0 ms) 27: [ RUN ] SimdScalarTest.loadI 27: [ OK ] SimdScalarTest.loadI (0 ms) 27: [ RUN ] SimdScalarTest.loadUI 27: [ OK ] SimdScalarTest.loadUI (0 ms) 27: [ RUN ] SimdScalarTest.storeI 27: [ OK ] SimdScalarTest.storeI (0 ms) 27: [ RUN ] SimdScalarTest.storeUI 27: [ OK ] SimdScalarTest.storeUI (0 ms) 27: [ RUN ] SimdScalarTest.andNotI 27: [ OK ] SimdScalarTest.andNotI (0 ms) 27: [ RUN ] SimdScalarTest.testBitsI 27: [ OK ] SimdScalarTest.testBitsI (0 ms) 27: [ RUN ] SimdScalarTest.selectByMaskI 27: [ OK ] SimdScalarTest.selectByMaskI (0 ms) 27: [ RUN ] SimdScalarTest.selectByNotMaskI 27: [ OK ] SimdScalarTest.selectByNotMaskI (0 ms) 27: [ RUN ] SimdScalarTest.blendI 27: [ OK ] SimdScalarTest.blendI (0 ms) 27: [ RUN ] SimdScalarTest.cvtB2IB 27: [ OK ] SimdScalarTest.cvtB2IB (0 ms) 27: [ RUN ] SimdScalarTest.cvtIB2B 27: [ OK ] SimdScalarTest.cvtIB2B (0 ms) 27: [ RUN ] SimdScalarTest.expandScalarsToTriplets 27: [ OK ] SimdScalarTest.expandScalarsToTriplets (0 ms) 27: [----------] 41 tests from SimdScalarTest (0 ms total) 27: 27: [----------] 8 tests from SimdScalarUtilTest 27: [ RUN ] SimdScalarUtilTest.gatherLoadTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.gatherLoadUTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadUTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.transposeScatterStoreU 27: [ OK ] SimdScalarUtilTest.transposeScatterStoreU (0 ms) 27: [ RUN ] SimdScalarUtilTest.transposeScatterIncrU 27: [ OK ] SimdScalarUtilTest.transposeScatterIncrU (0 ms) 27: [ RUN ] SimdScalarUtilTest.transposeScatterDecrU 27: [ OK ] SimdScalarUtilTest.transposeScatterDecrU (0 ms) 27: [ RUN ] SimdScalarUtilTest.gatherLoadBySimdIntTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadBySimdIntTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.gatherLoadUBySimdIntTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadUBySimdIntTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.reduceIncr4ReturnSum 27: [ OK ] SimdScalarUtilTest.reduceIncr4ReturnSum (0 ms) 27: [----------] 8 tests from SimdScalarUtilTest (0 ms total) 27: 27: [----------] 37 tests from SimdScalarMathTest 27: [ RUN ] SimdScalarMathTest.copysign 27: [ OK ] SimdScalarMathTest.copysign (0 ms) 27: [ RUN ] SimdScalarMathTest.invsqrtPair 27: [ OK ] SimdScalarMathTest.invsqrtPair (0 ms) 27: [ RUN ] SimdScalarMathTest.inv 27: [ OK ] SimdScalarMathTest.inv (0 ms) 27: [ RUN ] SimdScalarMathTest.maskzInvsqrt 27: [ OK ] SimdScalarMathTest.maskzInvsqrt (0 ms) 27: [ RUN ] SimdScalarMathTest.log 27: [ OK ] SimdScalarMathTest.log (0 ms) 27: [ RUN ] SimdScalarMathTest.exp2 27: [ OK ] SimdScalarMathTest.exp2 (0 ms) 27: [ RUN ] SimdScalarMathTest.exp 27: [ OK ] SimdScalarMathTest.exp (0 ms) 27: [ RUN ] SimdScalarMathTest.erf 27: [ OK ] SimdScalarMathTest.erf (0 ms) 27: [ RUN ] SimdScalarMathTest.erfc 27: [ OK ] SimdScalarMathTest.erfc (0 ms) 27: [ RUN ] SimdScalarMathTest.sincos 27: [ OK ] SimdScalarMathTest.sincos (0 ms) 27: [ RUN ] SimdScalarMathTest.sin 27: [ OK ] SimdScalarMathTest.sin (0 ms) 27: [ RUN ] SimdScalarMathTest.cos 27: [ OK ] SimdScalarMathTest.cos (0 ms) 27: [ RUN ] SimdScalarMathTest.tan 27: [ OK ] SimdScalarMathTest.tan (0 ms) 27: [ RUN ] SimdScalarMathTest.asin 27: [ OK ] SimdScalarMathTest.asin (0 ms) 27: [ RUN ] SimdScalarMathTest.acos 27: [ OK ] SimdScalarMathTest.acos (0 ms) 27: [ RUN ] SimdScalarMathTest.atan 27: [ OK ] SimdScalarMathTest.atan (0 ms) 27: [ RUN ] SimdScalarMathTest.atan2 27: [ OK ] SimdScalarMathTest.atan2 (0 ms) 27: [ RUN ] SimdScalarMathTest.pmeForceCorrection 27: [ OK ] SimdScalarMathTest.pmeForceCorrection (0 ms) 27: [ RUN ] SimdScalarMathTest.pmePotentialCorrection 27: [ OK ] SimdScalarMathTest.pmePotentialCorrection (0 ms) 27: [ RUN ] SimdScalarMathTest.invsqrtPairSingleAccuracy 27: [ OK ] SimdScalarMathTest.invsqrtPairSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.invSingleAccuracy 27: [ OK ] SimdScalarMathTest.invSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.maskzInvsqrtSingleAccuracy 27: [ OK ] SimdScalarMathTest.maskzInvsqrtSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.logSingleAccuracy 27: [ OK ] SimdScalarMathTest.logSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.exp2SingleAccuracy 27: [ OK ] SimdScalarMathTest.exp2SingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.expSingleAccuracy 27: [ OK ] SimdScalarMathTest.expSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.erfSingleAccuracy 27: [ OK ] SimdScalarMathTest.erfSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.erfcSingleAccuracy 27: [ OK ] SimdScalarMathTest.erfcSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.sincosSingleAccuracy 27: [ OK ] SimdScalarMathTest.sincosSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.sinSingleAccuracy 27: [ OK ] SimdScalarMathTest.sinSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.cosSingleAccuracy 27: [ OK ] SimdScalarMathTest.cosSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.tanSingleAccuracy 27: [ OK ] SimdScalarMathTest.tanSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.asinSingleAccuracy 27: [ OK ] SimdScalarMathTest.asinSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.acosSingleAccuracy 27: [ OK ] SimdScalarMathTest.acosSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.atanSingleAccuracy 27: [ OK ] SimdScalarMathTest.atanSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.atan2SingleAccuracy 27: [ OK ] SimdScalarMathTest.atan2SingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.pmeForceCorrectionSingleAccuracy 27: [ OK ] SimdScalarMathTest.pmeForceCorrectionSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.pmePotentialCorrectionSingleAccuracy 27: [ OK ] SimdScalarMathTest.pmePotentialCorrectionSingleAccuracy (0 ms) 27: [----------] 37 tests from SimdScalarMathTest (0 ms total) 27: 27: [----------] Global test environment tear-down 27: [==========] 247 tests from 19 test cases ran. (89 ms total) 27: [ PASSED ] 247 tests. 27/54 Test #27: SimdUnitTests ....................... Passed 0.11 sec test 28 Start 28: CompatibilityHelpersTests 28: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/compat-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/CompatibilityHelpersTests.xml" 28: Test timeout computed to be: 30 28: [==========] Running 170 tests from 12 test cases. 28: [----------] Global test environment set-up. 28: [----------] 45 tests from OptionalTest 28: [ RUN ] OptionalTest.UnionCanContainNonPodTypes 28: [ OK ] OptionalTest.UnionCanContainNonPodTypes (0 ms) 28: [ RUN ] OptionalTest.CanDefaultConstructEmpty 28: [ OK ] OptionalTest.CanDefaultConstructEmpty (0 ms) 28: [ RUN ] OptionalTest.CanConstructFromNullopt 28: [ OK ] OptionalTest.CanConstructFromNullopt (0 ms) 28: [ RUN ] OptionalTest.CanDefaultConstructUsingNonDefaultConstructibleType 28: [ OK ] OptionalTest.CanDefaultConstructUsingNonDefaultConstructibleType (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromEmptyOptional 28: [ OK ] OptionalTest.CanCopyConstructFromEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromEmptyOptional 28: [ OK ] OptionalTest.CanMoveConstructFromEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromEmptyOptionalWithExplicitConversion 28: [ OK ] OptionalTest.CanCopyConstructFromEmptyOptionalWithExplicitConversion (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanCopyConstructFromEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromEmptyOptionalExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromEmptyOptionalExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromNonEmptyOptional 28: [ OK ] OptionalTest.CanCopyConstructFromNonEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromNonEmptyOptionalExplicitConverting 28: [ OK ] OptionalTest.CanCopyConstructFromNonEmptyOptionalExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromNonEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanCopyConstructFromNonEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromNonEmptyOptional 28: [ OK ] OptionalTest.CanMoveConstructFromNonEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromNonEmptyOptionalExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromNonEmptyOptionalExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromNonEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromNonEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromLiteral 28: [ OK ] OptionalTest.CanCopyConstructFromLiteral (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromLiteralConverting 28: [ OK ] OptionalTest.CanCopyConstructFromLiteralConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromValue 28: [ OK ] OptionalTest.CanCopyConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromValueConverting 28: [ OK ] OptionalTest.CanCopyConstructFromValueConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromValue 28: [ OK ] OptionalTest.CanMoveConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromValueExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromValueExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromValueNonExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromValueNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceConstructFromLiteral 28: [ OK ] OptionalTest.CanInPlaceConstructFromLiteral (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceCopyConstructFromValue 28: [ OK ] OptionalTest.CanInPlaceCopyConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceMoveConstructFromValue 28: [ OK ] OptionalTest.CanInPlaceMoveConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceCopyConstructFromInitializerList 28: [ OK ] OptionalTest.CanInPlaceCopyConstructFromInitializerList (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceMoveConstructFromInitializerList 28: [ OK ] OptionalTest.CanInPlaceMoveConstructFromInitializerList (0 ms) 28: [ RUN ] OptionalTest.CanAssignNulloptToDisengage 28: [ OK ] OptionalTest.CanAssignNulloptToDisengage (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionals 28: [ OK ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionals (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionalsConverting 28: [ OK ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionalsConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionalsConverting 28: [ OK ] OptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionalsConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignFromLiteral 28: [ OK ] OptionalTest.CanCopyAssignFromLiteral (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignFromValue 28: [ OK ] OptionalTest.CanCopyAssignFromValue (0 ms) 28: [ RUN ] OptionalTest.CanMoveAssignFromValue 28: [ OK ] OptionalTest.CanMoveAssignFromValue (0 ms) 28: [ RUN ] OptionalTest.CanCopyEmplaceFromArguments 28: [ OK ] OptionalTest.CanCopyEmplaceFromArguments (0 ms) 28: [ RUN ] OptionalTest.CanMoveEmplaceFromArguments 28: [ OK ] OptionalTest.CanMoveEmplaceFromArguments (0 ms) 28: [ RUN ] OptionalTest.CanCopyEmplaceFromInitializerListAndArguments 28: [ OK ] OptionalTest.CanCopyEmplaceFromInitializerListAndArguments (0 ms) 28: [ RUN ] OptionalTest.CanMoveEmplaceFromInitializerListAndArguments 28: [ OK ] OptionalTest.CanMoveEmplaceFromInitializerListAndArguments (0 ms) 28: [ RUN ] OptionalTest.CanResetContent 28: [ OK ] OptionalTest.CanResetContent (0 ms) 28: [ RUN ] OptionalTest.ProvidesRelationalOperators 28: [ OK ] OptionalTest.ProvidesRelationalOperators (0 ms) 28: [ RUN ] OptionalTest.ProvidesMixedTypeRelationalOperators 28: [ OK ] OptionalTest.ProvidesMixedTypeRelationalOperators (0 ms) 28: [ RUN ] OptionalTest.CanProduceHash 28: [ OK ] OptionalTest.CanProduceHash (0 ms) 28: [ RUN ] OptionalTest.ShowAlignmentDependingOnBaseType 28: alignment_of: 1 28: alignment_of: 2 28: alignment_of: 4 28: alignment_of: 8 28: alignment_of: 4 28: alignment_of: 8 28: alignment_of: 16 28: alignment_of: 1 28: [ OK ] OptionalTest.ShowAlignmentDependingOnBaseType (0 ms) 28: [ RUN ] OptionalTest.ShowSizeDependingOnBaseType 28: sizeof( nonstd::optional_lite::detail::storage_t ): 1 28: sizeof( optional ): 2 (1) 28: sizeof( optional ): 4 (2) 28: sizeof( optional ): 8 (4) 28: sizeof( optional ): 16 (8) 28: sizeof( optional ): 8 (4) 28: sizeof( optional ): 16 (8) 28: sizeof( optional ): 32 (16) 28: sizeof( optional ): 2 (1) 28: [ OK ] OptionalTest.ShowSizeDependingOnBaseType (0 ms) 28: [----------] 45 tests from OptionalTest (0 ms total) 28: 28: [----------] 7 tests from MakeOptionalTest 28: [ RUN ] MakeOptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionals 28: [ OK ] MakeOptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionals (0 ms) 28: [ RUN ] MakeOptionalTest.CanCopyConstruct 28: [ OK ] MakeOptionalTest.CanCopyConstruct (0 ms) 28: [ RUN ] MakeOptionalTest.CanMoveConstruct 28: [ OK ] MakeOptionalTest.CanMoveConstruct (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceCopyConstructFromArguments 28: [ OK ] MakeOptionalTest.CanInPlaceCopyConstructFromArguments (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceMoveConstructFromArguments 28: [ OK ] MakeOptionalTest.CanInPlaceMoveConstructFromArguments (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceCopyConstructFromInitializerListAndArguments 28: [ OK ] MakeOptionalTest.CanInPlaceCopyConstructFromInitializerListAndArguments (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceMoveConstructFromInitializerListAndArguments 28: [ OK ] MakeOptionalTest.CanInPlaceMoveConstructFromInitializerListAndArguments (0 ms) 28: [----------] 7 tests from MakeOptionalTest (0 ms total) 28: 28: [----------] 4 tests from OptionalMemberSwapTest 28: [ RUN ] OptionalMemberSwapTest.CanSwapDisengagedWithDisengaged 28: [ OK ] OptionalMemberSwapTest.CanSwapDisengagedWithDisengaged (0 ms) 28: [ RUN ] OptionalMemberSwapTest.CanSwapEngagedWithDisengaged 28: [ OK ] OptionalMemberSwapTest.CanSwapEngagedWithDisengaged (0 ms) 28: [ RUN ] OptionalMemberSwapTest.CanSwapDisengagedWithEngaged 28: [ OK ] OptionalMemberSwapTest.CanSwapDisengagedWithEngaged (0 ms) 28: [ RUN ] OptionalMemberSwapTest.CanSwapEngagedWithEngaged 28: [ OK ] OptionalMemberSwapTest.CanSwapEngagedWithEngaged (0 ms) 28: [----------] 4 tests from OptionalMemberSwapTest (0 ms total) 28: 28: [----------] 4 tests from OptionalImplicitValueTest 28: [ RUN ] OptionalImplicitValueTest.CanObtainValueConst 28: [ OK ] OptionalImplicitValueTest.CanObtainValueConst (0 ms) 28: [ RUN ] OptionalImplicitValueTest.CanObtainValueNonConst 28: [ OK ] OptionalImplicitValueTest.CanObtainValueNonConst (0 ms) 28: [ RUN ] OptionalImplicitValueTest.CanObtainMovedFromValueConst 28: [ OK ] OptionalImplicitValueTest.CanObtainMovedFromValueConst (0 ms) 28: [ RUN ] OptionalImplicitValueTest.CanObtainMovedFromValueNonConst 28: [ OK ] OptionalImplicitValueTest.CanObtainMovedFromValueNonConst (0 ms) 28: [----------] 4 tests from OptionalImplicitValueTest (0 ms total) 28: 28: [----------] 20 tests from OptionalIntValueTest 28: [ RUN ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorConst 28: [ OK ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorNonConst 28: [ OK ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorNonConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainHasValueViaOperatorBool 28: [ OK ] OptionalIntValueTest.CanObtainHasValueViaOperatorBool (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueViaValueMethodConst 28: [ OK ] OptionalIntValueTest.CanObtainValueViaValueMethodConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueViaValueMethodNonConst 28: [ OK ] OptionalIntValueTest.CanObtainValueViaValueMethodNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodNonConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueFromNonEmptyOptionalViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainValueFromNonEmptyOptionalViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainDefaultFromEmptyOptionalViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainDefaultFromEmptyOptionalViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedFromValueForLValuesViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainMovedFromValueForLValuesViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedFromValueForRValuesViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainMovedFromValueForRValuesViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForLValues 28: [ OK ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForLValues (1 ms) 28: [ RUN ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForRValues 28: [ OK ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForRValues (0 ms) 28: [ RUN ] OptionalIntValueTest.ThrowsBadOptionalAccessWithNonEmptyWhatMethod 28: [ OK ] OptionalIntValueTest.ThrowsBadOptionalAccessWithNonEmptyWhatMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithDisengaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithDisengaged (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithEngaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithEngaged (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithEngaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithEngaged (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithDisengaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithDisengaged (0 ms) 28: [----------] 20 tests from OptionalIntValueTest (1 ms total) 28: 28: [----------] 1 test from NotNullConstruction 28: [ RUN ] NotNullConstruction.Works 28: [ OK ] NotNullConstruction.Works (0 ms) 28: [----------] 1 test from NotNullConstruction (0 ms total) 28: 28: [----------] 1 test from NotNullCasting 28: [ RUN ] NotNullCasting.Works 28: [ OK ] NotNullCasting.Works (0 ms) 28: [----------] 1 test from NotNullCasting (0 ms total) 28: 28: [----------] 1 test from NotNullAssignment 28: [ RUN ] NotNullAssignment.Works 28: [ OK ] NotNullAssignment.Works (0 ms) 28: [----------] 1 test from NotNullAssignment (0 ms total) 28: 28: [----------] 1 test from MakeNotNull 28: [ RUN ] MakeNotNull.Works 28: [ OK ] MakeNotNull.Works (0 ms) 28: [----------] 1 test from MakeNotNull (0 ms total) 28: 28: [----------] 1 test from NotNull 28: [ RUN ] NotNull.WorksInContainers 28: [ OK ] NotNull.WorksInContainers (0 ms) 28: [----------] 1 test from NotNull (0 ms total) 28: 28: [----------] 80 tests from StringViewTest 28: [ RUN ] StringViewTest.CanDefaultConstructEmptyView 28: [ OK ] StringViewTest.CanDefaultConstructEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanConstructFromPointerAndSize 28: [ OK ] StringViewTest.CanConstructFromPointerAndSize (0 ms) 28: [ RUN ] StringViewTest.CanConstructFromCString 28: [ OK ] StringViewTest.CanConstructFromCString (0 ms) 28: [ RUN ] StringViewTest.CanCopyConstructFromEmptyView 28: [ OK ] StringViewTest.CanCopyConstructFromEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanCopyConstructFromNonEmptyView 28: [ OK ] StringViewTest.CanCopyConstructFromNonEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanCopyAssingFromEmptyView 28: [ OK ] StringViewTest.CanCopyAssingFromEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanCopyAssingFromNonEmptyView 28: [ OK ] StringViewTest.CanCopyAssingFromNonEmptyView (0 ms) 28: [ RUN ] StringViewTest.AllowForwardIteration 28: [ OK ] StringViewTest.AllowForwardIteration (0 ms) 28: [ RUN ] StringViewTest.AllowConstForwardIteration 28: [ OK ] StringViewTest.AllowConstForwardIteration (0 ms) 28: [ RUN ] StringViewTest.AllowReverseIteration 28: [ OK ] StringViewTest.AllowReverseIteration (0 ms) 28: [ RUN ] StringViewTest.AllowConstReverseIteration 28: [ OK ] StringViewTest.AllowConstReverseIteration (0 ms) 28: [ RUN ] StringViewTest.CanObtainSizeFromViewViaSize 28: [ OK ] StringViewTest.CanObtainSizeFromViewViaSize (0 ms) 28: [ RUN ] StringViewTest.CanObtainSizeFromViewViaLength 28: [ OK ] StringViewTest.CanObtainSizeFromViewViaLength (0 ms) 28: [ RUN ] StringViewTest.CanObtainMaxSizeViaMaxSize 28: [ OK ] StringViewTest.CanObtainMaxSizeViaMaxSize (0 ms) 28: [ RUN ] StringViewTest.CanCheckForEmptyStringWithEmpty 28: [ OK ] StringViewTest.CanCheckForEmptyStringWithEmpty (0 ms) 28: [ RUN ] StringViewTest.CanAccessElementViaArrayIndex 28: [ OK ] StringViewTest.CanAccessElementViaArrayIndex (0 ms) 28: [ RUN ] StringViewTest.CanAccessElementViaAt 28: [ OK ] StringViewTest.CanAccessElementViaAt (0 ms) 28: [ RUN ] StringViewTest.ThrowsOnOutOfBoundsAccess 28: [ OK ] StringViewTest.ThrowsOnOutOfBoundsAccess (0 ms) 28: [ RUN ] StringViewTest.CanAccessAllElementsViaData 28: [ OK ] StringViewTest.CanAccessAllElementsViaData (0 ms) 28: [ RUN ] StringViewTest.DataFromEmptyStringIsNullptr 28: [ OK ] StringViewTest.DataFromEmptyStringIsNullptr (0 ms) 28: [ RUN ] StringViewTest.CanRemovePrefix 28: [ OK ] StringViewTest.CanRemovePrefix (0 ms) 28: [ RUN ] StringViewTest.CanRemoveSuffix 28: [ OK ] StringViewTest.CanRemoveSuffix (0 ms) 28: [ RUN ] StringViewTest.CanSwapWithOtherView 28: [ OK ] StringViewTest.CanSwapWithOtherView (0 ms) 28: [ RUN ] StringViewTest.CanCopySubstringWithCopy 28: [ OK ] StringViewTest.CanCopySubstringWithCopy (0 ms) 28: [ RUN ] StringViewTest.ThrowsOnOutOfBoundsCopy 28: [ OK ] StringViewTest.ThrowsOnOutOfBoundsCopy (0 ms) 28: [ RUN ] StringViewTest.CanObtainSubstringWithSubstr 28: [ OK ] StringViewTest.CanObtainSubstringWithSubstr (0 ms) 28: [ RUN ] StringViewTest.ThrowsOnOutOfBoundsSubstr 28: [ OK ] StringViewTest.ThrowsOnOutOfBoundsSubstr (0 ms) 28: [ RUN ] StringViewTest.CanLexicallyCompareViewWithCompare 28: [ OK ] StringViewTest.CanLexicallyCompareViewWithCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareEmptyViewsWIthCompare 28: [ OK ] StringViewTest.CanCompareEmptyViewsWIthCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringWithViewViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringWithViewViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringWithSubStringViewViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringWithSubStringViewViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareToCStringViaCompare 28: [ OK ] StringViewTest.CanCompareToCStringViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringToCStringViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringToCStringViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringToCStringPrefixViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringToCStringPrefixViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCheckForPrefixViewViaStartsWith 28: [ OK ] StringViewTest.CanCheckForPrefixViewViaStartsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForPrefixCharacterViaStartsWith 28: [ OK ] StringViewTest.CanCheckForPrefixCharacterViaStartsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForPrefixCStringViaStartsWith 28: [ OK ] StringViewTest.CanCheckForPrefixCStringViaStartsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForSuffixViewViaEndsWith 28: [ OK ] StringViewTest.CanCheckForSuffixViewViaEndsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForSuffixCharacterViaEndsWith 28: [ OK ] StringViewTest.CanCheckForSuffixCharacterViaEndsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForSuffixCStringViaEndsWith 28: [ OK ] StringViewTest.CanCheckForSuffixCStringViaEndsWith (0 ms) 28: [ RUN ] StringViewTest.CanSearchForViewSubstrViaFind 28: [ OK ] StringViewTest.CanSearchForViewSubstrViaFind (0 ms) 28: [ RUN ] StringViewTest.CanSearchForCharacterViaFind 28: [ OK ] StringViewTest.CanSearchForCharacterViaFind (0 ms) 28: [ RUN ] StringViewTest.CanSearchForCStringSubstringViaFind 28: [ OK ] StringViewTest.CanSearchForCStringSubstringViaFind (0 ms) 28: [ RUN ] StringViewTest.CanSearchForCStringSubstringViaFindWithDefaultPos 28: [ OK ] StringViewTest.CanSearchForCStringSubstringViaFindWithDefaultPos (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForViewSubstrViaFind 28: [ OK ] StringViewTest.CanBackwardsSearchForViewSubstrViaFind (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForCharacterViaFind 28: [ OK ] StringViewTest.CanBackwardsSearchForCharacterViaFind (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFind 28: [ OK ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFind (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFindWithDefaultPos 28: [ OK ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFindWithDefaultPos (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfAnyCharacterInView 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfAnyCharacterInView (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfCharacter 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfCharacter (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCStringInLenght 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCStringInLenght (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCString 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCString (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfAnyCharacterInView 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfAnyCharacterInView (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharacter 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharacter (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCStringInLenght 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCStringInLenght (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCString 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCString (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNotFoundCharacter 28: [ OK ] StringViewTest.CanSearchForFirstNotFoundCharacter (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNonMatchingCharacter 28: [ OK ] StringViewTest.CanSearchForFirstNonMatchingCharacter (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCStringInLength 28: [ OK ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCStringInLength (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCString 28: [ OK ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCString (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForForstNonFoundCharacterInView 28: [ OK ] StringViewTest.CanBackwardsSearchForForstNonFoundCharacterInView (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForFirstNonMatchingCharacter 28: [ OK ] StringViewTest.CanBackwardsSearchForFirstNonMatchingCharacter (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCStringInLength 28: [ OK ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCStringInLength (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCString 28: [ OK ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCString (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSV 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSV (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSVInStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSVInStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SV 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SV (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SVInStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SVInStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCompareToViews 28: [ OK ] StringViewTest.CanCompareToViews (0 ms) 28: [ RUN ] StringViewTest.CanCompareViewToImplicitlyConvertedView 28: [ OK ] StringViewTest.CanCompareViewToImplicitlyConvertedView (0 ms) 28: [ RUN ] StringViewTest.EmptyViewsCompareAsEqual 28: [ OK ] StringViewTest.EmptyViewsCompareAsEqual (0 ms) 28: [ RUN ] StringViewTest.CanPrintViewToPutputStream 28: [ OK ] StringViewTest.CanPrintViewToPutputStream (0 ms) 28: [ RUN ] StringViewTest.HashOfViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfViewIsEqualToHashOfString (0 ms) 28: [ RUN ] StringViewTest.HashOfWStringViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfWStringViewIsEqualToHashOfString (0 ms) 28: [ RUN ] StringViewTest.HashOfU16StringViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfU16StringViewIsEqualToHashOfString (0 ms) 28: [ RUN ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString (0 ms) 28: [----------] 80 tests from StringViewTest (0 ms total) 28: 28: [----------] 5 tests from StringViewExtensionTest 28: [ RUN ] StringViewExtensionTest.CanConstructViewFromString 28: [ OK ] StringViewExtensionTest.CanConstructViewFromString (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViaExplicitOperator 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViaExplicitOperator (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViaToString 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViaToString (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViaToStringFreeFunction 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViaToStringFreeFunction (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViewViaToStringView 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViewViaToStringView (0 ms) 28: [----------] 5 tests from StringViewExtensionTest (0 ms total) 28: 28: [----------] Global test environment tear-down 28: [==========] 170 tests from 12 test cases ran. (1 ms total) 28: [ PASSED ] 170 tests. 28/54 Test #28: CompatibilityHelpersTests ........... Passed 0.01 sec test 29 Start 29: GmxAnaTest 29: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/gmxana-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/GmxAnaTest.xml" 29: Test timeout computed to be: 600 29: [==========] Running 27 tests from 5 test cases. 29: [----------] Global test environment set-up. 29: [----------] 5 tests from Entropy 29: [ RUN ] Entropy.Schlitter_300_NoLinear 29: [ OK ] Entropy.Schlitter_300_NoLinear (0 ms) 29: [ RUN ] Entropy.Schlitter_300_Linear 29: [ OK ] Entropy.Schlitter_300_Linear (1 ms) 29: [ RUN ] Entropy.QuasiHarmonic_300_NoLinear 29: [ OK ] Entropy.QuasiHarmonic_300_NoLinear (0 ms) 29: [ RUN ] Entropy.QuasiHarmonic_200_NoLinear 29: [ OK ] Entropy.QuasiHarmonic_200_NoLinear (5 ms) 29: [ RUN ] Entropy.QuasiHarmonic_200_Linear 29: [ OK ] Entropy.QuasiHarmonic_200_Linear (0 ms) 29: [----------] 5 tests from Entropy (6 ms total) 29: 29: [----------] 10 tests from MindistTest 29: [ RUN ] MindistTest.mindistWorksWithSingleAtoms 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 0: 'atom1' 29: Selected 1: 'atom2' 29: [ OK ] MindistTest.mindistWorksWithSingleAtoms (15 ms) 29: [ RUN ] MindistTest.mindistWorksWithMultipleAtoms 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 2: 'atom3' 29: Selected 3: 'atoms12' 29: [ OK ] MindistTest.mindistWorksWithMultipleAtoms (6 ms) 29: [ RUN ] MindistTest.mindistDoesNotPickUpContacts 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 0: 'atom1' 29: Selected 1: 'atom2' 29: [ OK ] MindistTest.mindistDoesNotPickUpContacts (7 ms) 29: [ RUN ] MindistTest.mindistPicksUpContacts 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 0: 'atom1' 29: Selected 1: 'atom2' 29: [ OK ] MindistTest.mindistPicksUpContacts (1 ms) 29: [ RUN ] MindistTest.ngWorks 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 0: 'atom1' 29: Selected 1: 'atom2' 29: Selected 2: 'atom3' 29: [ OK ] MindistTest.ngWorks (1 ms) 29: [ RUN ] MindistTest.groupWorks 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 3: 'atoms12' 29: Selected 2: 'atom3' 29: [ OK ] MindistTest.groupWorks (11 ms) 29: [ RUN ] MindistTest.maxDistWorks 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 2: 'atom3' 29: Selected 3: 'atoms12' 29: [ OK ] MindistTest.maxDistWorks (1 ms) 29: [ RUN ] MindistTest.noPbcWorks 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 0: 'atom1' 29: Selected 1: 'atom2' 29: [ OK ] MindistTest.noPbcWorks (0 ms) 29: [ RUN ] MindistTest.resPerTimeWorks 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 3: 'atoms12' 29: Selected 2: 'atom3' 29: [ OK ] MindistTest.resPerTimeWorks (11 ms) 29: [ RUN ] MindistTest.matrixWorks 29: Group 0 ( atom1) has 1 elements 29: Group 1 ( atom2) has 1 elements 29: Group 2 ( atom3) has 1 elements 29: Group 3 ( atoms12) has 2 elements 29: Group 4 ( atoms23) has 2 elements 29: Group 5 ( atoms123) has 3 elements 29: Select a group: Reading frames from gro file 'mindist_beads', 3 atoms. 29: Reading frame 0 time 0.000 Last frame 0 time 0.000 29: Selected 5: 'atoms123' 29: Special case: making distance matrix between all atoms in group atoms123 29: [ OK ] MindistTest.matrixWorks (12 ms) 29: [----------] 10 tests from MindistTest (65 ms total) 29: 29: [----------] 3 tests from MsdTest 29: [ RUN ] MsdTest.threeDimensionalDiffusion 29: 29: Select a group to calculate mean squared displacement for: 29: Group 0 ( particles) has 3 elements 29: There is one group in the index 29: Reading frame 0 time 0.000 Reading frame 1 time 1.000 Reading frame 2 time 2.000 Reading frame 3 time 3.000 Reading frame 4 time 4.000 Reading frame 5 time 5.000 Reading frame 6 time 6.000 Reading frame 7 time 7.000 Reading frame 8 time 8.000 Reading frame 9 time 9.000 Last frame 9 time 9.000 29: 29: Used 1 restart points spaced 200 ps over 9 ps 29: 29: Fitting from 1 to 8 ps 29: 29: D[ particles] 4.0000 (+/- 0.0000) 1e-5 cm^2/s 29: [ OK ] MsdTest.threeDimensionalDiffusion (16 ms) 29: [ RUN ] MsdTest.twoDimensionalDiffusion 29: 29: Select a group to calculate mean squared displacement for: 29: Group 0 ( particles) has 3 elements 29: There is one group in the index 29: Reading frame 0 time 0.000 Reading frame 1 time 1.000 Reading frame 2 time 2.000 Reading frame 3 time 3.000 Reading frame 4 time 4.000 Reading frame 5 time 5.000 Reading frame 6 time 6.000 Reading frame 7 time 7.000 Reading frame 8 time 8.000 Reading frame 9 time 9.000 Last frame 9 time 9.000 29: 29: Used 1 restart points spaced 200 ps over 9 ps 29: 29: Fitting from 1 to 8 ps 29: 29: D[ particles] 6.0000 (+/- 0.0000) 1e-5 cm^2/s 29: [ OK ] MsdTest.twoDimensionalDiffusion (1 ms) 29: [ RUN ] MsdTest.oneDimensionalDiffusion 29: 29: Select a group to calculate mean squared displacement for: 29: Group 0 ( particles) has 3 elements 29: There is one group in the index 29: Reading frame 0 time 0.000 Reading frame 1 time 1.000 Reading frame 2 time 2.000 Reading frame 3 time 3.000 Reading frame 4 time 4.000 Reading frame 5 time 5.000 Reading frame 6 time 6.000 Reading frame 7 time 7.000 Reading frame 8 time 8.000 Reading frame 9 time 9.000 Last frame 9 time 9.000 29: 29: Used 1 restart points spaced 200 ps over 9 ps 29: 29: Fitting from 1 to 8 ps 29: 29: D[ particles] 8.0000 (+/- 0.0000) 1e-5 cm^2/s 29: [ OK ] MsdTest.oneDimensionalDiffusion (1 ms) 29: [----------] 3 tests from MsdTest (18 ms total) 29: 29: [----------] 3 tests from MsdMolTest 29: [ RUN ] MsdMolTest.diffMolMassWeighted 29: 29: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolMassWeighted.mdp]: 29: For a correct single-point energy evaluation with nsteps = 0, use 29: continuation = yes to avoid constraining the input coordinates. 29: 29: Setting the LD random seed to -9961517 29: Generated 330891 of the 330891 non-bonded parameter combinations 29: Generating 1-4 interactions: fudge = 0.5 29: Generated 330891 of the 330891 1-4 parameter combinations 29: Excluding 2 bonded neighbours molecule type 'SOL' 29: Number of degrees of freedom in T-Coupling group rest is 27.00 29: 29: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolMassWeighted.mdp]: 29: NVE simulation with an initial temperature of zero: will use a Verlet 29: buffer of 10%. Check your energy drift! 29: 29: 29: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolMassWeighted.mdp]: 29: You are using a plain Coulomb cut-off, which might produce artifacts. 29: You might want to consider using PME electrostatics. 29: 29: 29: 29: There were 3 notes 29: Calculating diffusion coefficients for molecules. 29: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolMassWeighted.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 29: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolMassWeighted.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 29: 29: Select a group to calculate mean squared displacement for: 29: Group 0 ( water) has 15 elements 29: There is one group in the index 29: Split group of 15 atoms into 5 molecules 29: Reading frames from pdb file Reading frame 0 time 0.000 'water t= 0.00400 step= 20', 15 atoms 29: Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Reading frame 5 time 0.020 Reading frame 6 time 0.024 Reading frame 7 time 0.028 Reading frame 8 time 0.032 Reading frame 9 time 0.036 Reading frame 10 time 0.040 Reading frame 11 time 0.044 Reading frame 12 time 0.048 Reading frame 13 time 0.052 Reading frame 14 time 0.056 Reading frame 15 time 0.060 Reading frame 16 time 0.064 Reading frame 17 time 0.068 Reading frame 18 time 0.072 Reading frame 19 time 0.076 Reading frame 20 time 0.080 29: 29: Used 1 restart points spaced 200 ps over 0.1 ps 29: 29: This run will generate roughly 0 Mb of data 29: = 6.4731 Std. Dev. = 8.0969 Error = 3.6210 29: Fitting from 0.008 to 0.088 ps 29: 29: D[ water] 6.5741 (+/- 0.7753) 1e-5 cm^2/s 29: [ OK ] MsdMolTest.diffMolMassWeighted (729 ms) 29: [ RUN ] MsdMolTest.diffMolNonMassWeighted 29: 29: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolNonMassWeighted.mdp]: 29: For a correct single-point energy evaluation with nsteps = 0, use 29: continuation = yes to avoid constraining the input coordinates. 29: 29: Setting the LD random seed to -1226843034 29: Generated 330891 of the 330891 non-bonded parameter combinations 29: Generating 1-4 interactions: fudge = 0.5 29: Generated 330891 of the 330891 1-4 parameter combinations 29: Excluding 2 bonded neighbours molecule type 'SOL' 29: Number of degrees of freedom in T-Coupling group rest is 27.00 29: 29: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolNonMassWeighted.mdp]: 29: NVE simulation with an initial temperature of zero: will use a Verlet 29: buffer of 10%. Check your energy drift! 29: 29: 29: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolNonMassWeighted.mdp]: 29: You are using a plain Coulomb cut-off, which might produce artifacts. 29: You might want to consider using PME electrostatics. 29: 29: 29: 29: There were 3 notes 29: Calculating diffusion coefficients for molecules. 29: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolNonMassWeighted.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 29: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolNonMassWeighted.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 29: 29: Select a group to calculate mean squared displacement for: 29: Group 0 ( water) has 15 elements 29: There is one group in the index 29: Split group of 15 atoms into 5 molecules 29: Reading frames from pdb file Reading frame 0 time 0.000 'water t= 0.00400 step= 20', 15 atoms 29: Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Reading frame 5 time 0.020 Reading frame 6 time 0.024 Reading frame 7 time 0.028 Reading frame 8 time 0.032 Reading frame 9 time 0.036 Reading frame 10 time 0.040 Reading frame 11 time 0.044 Reading frame 12 time 0.048 Reading frame 13 time 0.052 Reading frame 14 time 0.056 Reading frame 15 time 0.060 Reading frame 16 time 0.064 Reading frame 17 time 0.068 Reading frame 18 time 0.072 Reading frame 19 time 0.076 Reading frame 20 time 0.080 29: 29: Used 1 restart points spaced 200 ps over 0.1 ps 29: 29: This run will generate roughly 0 Mb of data 29: = 6.4731 Std. Dev. = 8.0969 Error = 3.6210 29: Fitting from 0.008 to 0.088 ps 29: 29: D[ water] 6.5741 (+/- 0.7753) 1e-5 cm^2/s 29: [ OK ] MsdMolTest.diffMolNonMassWeighted (621 ms) 29: [ RUN ] MsdMolTest.diffMolSelected 29: 29: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolSelected.mdp]: 29: For a correct single-point energy evaluation with nsteps = 0, use 29: continuation = yes to avoid constraining the input coordinates. 29: 29: Setting the LD random seed to -536923250 29: Generated 330891 of the 330891 non-bonded parameter combinations 29: Generating 1-4 interactions: fudge = 0.5 29: Generated 330891 of the 330891 1-4 parameter combinations 29: Excluding 2 bonded neighbours molecule type 'SOL' 29: Number of degrees of freedom in T-Coupling group rest is 27.00 29: 29: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolSelected.mdp]: 29: NVE simulation with an initial temperature of zero: will use a Verlet 29: buffer of 10%. Check your energy drift! 29: 29: 29: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolSelected.mdp]: 29: You are using a plain Coulomb cut-off, which might produce artifacts. 29: You might want to consider using PME electrostatics. 29: 29: 29: 29: There were 3 notes 29: Calculating diffusion coefficients for molecules. 29: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolSelected.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 29: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxana/tests/Testing/Temporary/MsdMolTest_diffMolSelected.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 29: 29: Select a group to calculate mean squared displacement for: 29: Group 0 ( mol) has 9 elements 29: There is one group in the index 29: Split group of 9 atoms into 3 molecules 29: Reading frames from pdb file Reading frame 0 time 0.000 'water t= 0.00400 step= 20', 15 atoms 29: Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Reading frame 5 time 0.020 Reading frame 6 time 0.024 Reading frame 7 time 0.028 Reading frame 8 time 0.032 Reading frame 9 time 0.036 Reading frame 10 time 0.040 Reading frame 11 time 0.044 Reading frame 12 time 0.048 Reading frame 13 time 0.052 Reading frame 14 time 0.056 Reading frame 15 time 0.060 Reading frame 16 time 0.064 Reading frame 17 time 0.068 Reading frame 18 time 0.072 Reading frame 19 time 0.076 Reading frame 20 time 0.080 29: 29: Used 1 restart points spaced 200 ps over 0.1 ps 29: 29: This run will generate roughly 0 Mb of data 29: = 7.3593 Std. Dev. = 9.7910 Error = 5.6529 29: Fitting from 0.008 to 0.088 ps 29: 29: D[ mol] 7.8614 (+/- 1.5619) 1e-5 cm^2/s 29: [ OK ] MsdMolTest.diffMolSelected (609 ms) 29: [----------] 3 tests from MsdMolTest (1959 ms total) 29: 29: [----------] 6 tests from NoFatalErrorWhenWritingFrom/GmxTraj 29: [ RUN ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0 29: Group 0 ( System) has 6 elements 29: Group 1 ( Water) has 6 elements 29: Group 2 ( SOL) has 6 elements 29: Select a group: trr version: GMX_trn_file (single precision) 29: Reading frame 0 time 0.000 Reading frame 1 time 0.000 Last frame 1 time 0.000 29: Selected 0: 'System' 29: [ OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/0 (30 ms) 29: [ RUN ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/1 29: Group 0 ( System) has 6 elements 29: Group 1 ( Water) has 6 elements 29: Group 2 ( SOL) has 6 elements 29: Select a group: Reading frame 0 time 0.000 Reading frame 1 time 0.000 Last frame 1 time 0.000 29: Selected 0: 'System' 29: [ OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/1 (13 ms) 29: [ RUN ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/2 29: Group 0 ( System) has 6 elements 29: Group 1 ( Water) has 6 elements 29: Group 2 ( SOL) has 6 elements 29: Select a group: Reading frame 0 time 0.000 Reading frame 1 time 0.000 Last frame 1 time 0.000 29: Selected 0: 'System' 29: [ OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/2 (2 ms) 29: [ RUN ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/3 29: Group 0 ( System) has 6 elements 29: Group 1 ( Water) has 6 elements 29: Group 2 ( SOL) has 6 elements 29: Select a group: Reading frames from gro file '', 6 atoms. 29: Reading frame 0 time 0.000 Reading frame 1 time 0.000 Last frame 1 time 0.000 29: Selected 0: 'System' 29: [ OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/3 (1 ms) 29: [ RUN ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/4 29: Group 0 ( System) has 6 elements 29: Group 1 ( Water) has 6 elements 29: Group 2 ( SOL) has 6 elements 29: Select a group: Reading frames from pdb file Reading frame 0 time 0.000 't= 0.00000', 6 atoms 29: Reading frame 1 time 0.000 Last frame 1 time 0.000 29: Selected 0: 'System' 29: [ OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/4 (35 ms) 29: [ RUN ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/5 29: Group 0 ( System) has 6 elements 29: Group 1 ( Water) has 6 elements 29: Group 2 ( SOL) has 6 elements 29: Select a group: Reading frame 0 time 0.000 Reading frame 1 time 0.000 Last frame 1 time 0.000 29: Selected 0: 'System' 29: [ OK ] NoFatalErrorWhenWritingFrom/GmxTraj.WithDifferentInputFormats/5 (68 ms) 29: [----------] 6 tests from NoFatalErrorWhenWritingFrom/GmxTraj (150 ms total) 29: 29: [----------] Global test environment tear-down 29: [==========] 27 tests from 5 test cases ran. (2199 ms total) 29: [ PASSED ] 27 tests. 29/54 Test #29: GmxAnaTest .......................... Passed 2.24 sec test 30 Start 30: GmxPreprocessTests 30: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/gmxpreprocess-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/GmxPreprocessTests.xml" 30: Test timeout computed to be: 30 30: [==========] Running 51 tests from 9 test cases. 30: [----------] Global test environment set-up. 30: [----------] 4 tests from GenconfTest 30: [ RUN ] GenconfTest.nbox_Works 30: [ OK ] GenconfTest.nbox_Works (4 ms) 30: [ RUN ] GenconfTest.nbox_norenumber_Works 30: [ OK ] GenconfTest.nbox_norenumber_Works (1 ms) 30: [ RUN ] GenconfTest.nbox_dist_Works 30: [ OK ] GenconfTest.nbox_dist_Works (0 ms) 30: [ RUN ] GenconfTest.nbox_rot_Works 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: center of geometry: 1.733667, 1.477000, 0.905167 30: [ OK ] GenconfTest.nbox_rot_Works (1 ms) 30: [----------] 4 tests from GenconfTest (7 ms total) 30: 30: [----------] 2 tests from GenionTest 30: [ RUN ] GenionTest.HighConcentrationIonPlacement 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_HighConcentrationIonPlacement_input.mdp]: 30: rlist is equal to rvdw and/or rcoulomb: there is no explicit Verlet 30: buffer. The cluster pair list does have a buffering effect, but choosing 30: a larger rlist might be necessary for good energy conservation. 30: 30: 30: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_HighConcentrationIonPlacement_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: Setting the LD random seed to -1078496705 30: Generated 331705 of the 331705 non-bonded parameter combinations 30: Generating 1-4 interactions: fudge = 0.5 30: Generated 331705 of the 331705 1-4 parameter combinations 30: Excluding 2 bonded neighbours molecule type 'SOL' 30: Excluding 3 bonded neighbours molecule type 'methane' 30: Number of degrees of freedom in T-Coupling group rest is 1308.00 30: 30: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_HighConcentrationIonPlacement_input.mdp]: 30: You are using a plain Coulomb cut-off, which might produce artifacts. 30: You might want to consider using PME electrostatics. 30: 30: 30: 30: There were 3 notes 30: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_HighConcentrationIonPlacement_spc216_with_methane.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 30: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_HighConcentrationIonPlacement_spc216_with_methane.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 30: Group 0 ( System) has 653 elements 30: Group 1 ( Water) has 648 elements 30: Group 2 ( SOL) has 648 elements 30: Group 3 ( non-Water) has 5 elements 30: Group 4 ( Other) has 5 elements 30: Group 5 ( METH) has 5 elements 30: Select a group: Number of (3-atomic) solvent molecules: 216 30: Using random seed 1997. 30: Replacing solvent molecule 56 (atom 168) with NA 30: Replacing solvent molecule 120 (atom 360) with NA 30: Replacing solvent molecule 182 (atom 546) with NA 30: Replacing solvent molecule 71 (atom 213) with NA 30: Replacing solvent molecule 189 (atom 567) with CL 30: Replacing solvent molecule 54 (atom 162) with CL 30: Replacing solvent molecule 155 (atom 465) with CL 30: Replacing solvent molecule 99 (atom 297) with CL 30: 30: Analysing residue names: 30: There are: 216 Water residues 30: There are: 1 Other residues 30: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups... 30: This run will generate roughly 0 Mb of data 30: Will try to add 4 NA ions and 4 CL ions. 30: Select a continuous group of solvent molecules 30: Selected 1: 'Water' 30: [ OK ] GenionTest.HighConcentrationIonPlacement (659 ms) 30: [ RUN ] GenionTest.NoIonPlacement 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_input.mdp]: 30: rlist is equal to rvdw and/or rcoulomb: there is no explicit Verlet 30: buffer. The cluster pair list does have a buffering effect, but choosing 30: a larger rlist might be necessary for good energy conservation. 30: 30: 30: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: Setting the LD random seed to 1442824143 30: Generated 331705 of the 331705 non-bonded parameter combinations 30: Generating 1-4 interactions: fudge = 0.5 30: Generated 331705 of the 331705 1-4 parameter combinations 30: Excluding 2 bonded neighbours molecule type 'SOL' 30: Excluding 3 bonded neighbours molecule type 'methane' 30: Number of degrees of freedom in T-Coupling group rest is 1308.00 30: 30: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_input.mdp]: 30: You are using a plain Coulomb cut-off, which might produce artifacts. 30: You might want to consider using PME electrostatics. 30: 30: 30: 30: There were 3 notes 30: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_spc216_with_methane.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 30: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GenionTest_NoIonPlacement_spc216_with_methane.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 30: No ions to add, will just copy input configuration. 30: Analysing residue names: 30: There are: 216 Water residues 30: There are: 1 Other residues 30: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups... 30: This run will generate roughly 0 Mb of data 30: [ OK ] GenionTest.NoIonPlacement (598 ms) 30: [----------] 2 tests from GenionTest (1257 ms total) 30: 30: [----------] 1 test from GenRestrTest 30: [ RUN ] GenRestrTest.SimpleRestraintsGenerated 30: 30: Reading structure file 30: Group 0 ( System) has 156 elements 30: Group 1 ( Protein) has 156 elements 30: Group 2 ( Protein-H) has 75 elements 30: Group 3 ( C-alpha) has 10 elements 30: Group 4 ( Backbone) has 30 elements 30: Group 5 ( MainChain) has 40 elements 30: Group 6 ( MainChain+Cb) has 49 elements 30: Group 7 ( MainChain+H) has 52 elements 30: Group 8 ( SideChain) has 104 elements 30: Group 9 ( SideChain-H) has 35 elements 30: Select a group: Select group to position restrain 30: Selected 3: 'C-alpha' 30: [ OK ] GenRestrTest.SimpleRestraintsGenerated (2 ms) 30: [----------] 1 test from GenRestrTest (2 ms total) 30: 30: [----------] 9 tests from PreprocessingAtomTypesTest 30: [ RUN ] PreprocessingAtomTypesTest.EmptyOnCreate 30: [ OK ] PreprocessingAtomTypesTest.EmptyOnCreate (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.IndexOutOfRangeInvalid 30: [ OK ] PreprocessingAtomTypesTest.IndexOutOfRangeInvalid (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.AddTypeWorks 30: [ OK ] PreprocessingAtomTypesTest.AddTypeWorks (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.AddMultipleTypesWorks 30: [ OK ] PreprocessingAtomTypesTest.AddMultipleTypesWorks (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.CannotAddDuplicateEntry 30: [ OK ] PreprocessingAtomTypesTest.CannotAddDuplicateEntry (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.CorrectNameFound 30: [ OK ] PreprocessingAtomTypesTest.CorrectNameFound (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.WrongNameNotFound 30: [ OK ] PreprocessingAtomTypesTest.WrongNameNotFound (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.CorrectNameFromTypeNumber 30: [ OK ] PreprocessingAtomTypesTest.CorrectNameFromTypeNumber (0 ms) 30: [ RUN ] PreprocessingAtomTypesTest.NoNameFromIncorrectTypeNumber 30: [ OK ] PreprocessingAtomTypesTest.NoNameFromIncorrectTypeNumber (0 ms) 30: [----------] 9 tests from PreprocessingAtomTypesTest (0 ms total) 30: 30: [----------] 10 tests from PreprocessingBondAtomTypeTest 30: [ RUN ] PreprocessingBondAtomTypeTest.EmptyOnCreate 30: [ OK ] PreprocessingBondAtomTypeTest.EmptyOnCreate (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.IndexOutOfRangeInvalid 30: [ OK ] PreprocessingBondAtomTypeTest.IndexOutOfRangeInvalid (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.AddTypeWorks 30: [ OK ] PreprocessingBondAtomTypeTest.AddTypeWorks (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.AddMultipleTypesWorks 30: [ OK ] PreprocessingBondAtomTypeTest.AddMultipleTypesWorks (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.CannotAddDuplicateEntry 30: [ OK ] PreprocessingBondAtomTypeTest.CannotAddDuplicateEntry (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.ReturnsCorrectIndexOnDuplicateType 30: [ OK ] PreprocessingBondAtomTypeTest.ReturnsCorrectIndexOnDuplicateType (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.CorrectNameFound 30: [ OK ] PreprocessingBondAtomTypeTest.CorrectNameFound (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.WrongNameNotFound 30: [ OK ] PreprocessingBondAtomTypeTest.WrongNameNotFound (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.CorrectNameFromTypeNumber 30: [ OK ] PreprocessingBondAtomTypeTest.CorrectNameFromTypeNumber (0 ms) 30: [ RUN ] PreprocessingBondAtomTypeTest.NoNameFromIncorrectTypeNumber 30: [ OK ] PreprocessingBondAtomTypeTest.NoNameFromIncorrectTypeNumber (0 ms) 30: [----------] 10 tests from PreprocessingBondAtomTypeTest (0 ms total) 30: 30: [----------] 5 tests from InsertMoleculesTest 30: [ RUN ] InsertMoleculesTest.InsertsMoleculesIntoExistingConfiguration 30: Reading solute configuration 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Using random seed 1997 30: Try 1 success (now 8 atoms)! 30: 30: Added 1 molecules (out of 1 requested) 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoExistingConfiguration_out.gro 30: 30: Output configuration contains 8 atoms in 4 residues 30: [ OK ] InsertMoleculesTest.InsertsMoleculesIntoExistingConfiguration (2 ms) 30: [ RUN ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBox 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Using random seed 1997 30: Try 1 success (now 2 atoms)! 30: Try 2 success (now 4 atoms)! 30: Try 3 success (now 6 atoms)! 30: Try 4 success (now 8 atoms)! 30: Try 5 success (now 10 atoms)! 30: 30: Added 5 molecules (out of 5 requested) 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoEmptyBox_out.gro 30: 30: Output configuration contains 10 atoms in 10 residues 30: [ OK ] InsertMoleculesTest.InsertsMoleculesIntoEmptyBox (11 ms) 30: [ RUN ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox 30: Reading solute configuration 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Using random seed 1997 30: Try 1 success (now 8 atoms)! 30: Try 2 success (now 10 atoms)! 30: 30: Added 2 molecules (out of 2 requested) 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoEnlargedBox_out.gro 30: 30: Output configuration contains 10 atoms in 4 residues 30: [ OK ] InsertMoleculesTest.InsertsMoleculesIntoEnlargedBox (1 ms) 30: [ RUN ] InsertMoleculesTest.InsertsMoleculesWithReplacement 30: Reading solute configuration 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Using random seed 1997 30: Try 1 success (now 650 atoms)! 30: Try 2 success (now 652 atoms)! 30: Try 3 success (now 654 atoms)! 30: Try 4 success (now 656 atoms)! 30: 30: Added 4 molecules (out of 4 requested) 30: Replaced 8 residues (24 atoms) 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesWithReplacement_out.gro 30: 30: Output configuration contains 632 atoms in 212 residues 30: [ OK ] InsertMoleculesTest.InsertsMoleculesWithReplacement (7 ms) 30: [ RUN ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Using random seed 1997 30: Read 4 positions from file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoFixedPositions_5.dat 30: 30: Try 1 success (now 2 atoms)! 30: Try 2 success (now 4 atoms)! 30: Try 3 Try 4 Try 5 Try 6 Try 7 Try 8 Try 9 Try 10 Try 11 Try 12 skipped position (0.990, 2.010, 3.000) 30: Try 13 success (now 6 atoms)! 30: 30: Added 3 molecules (out of 4 requested) 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/InsertMoleculesTest_InsertsMoleculesIntoFixedPositions_out.gro 30: 30: Output configuration contains 6 atoms in 3 residues 30: [ OK ] InsertMoleculesTest.InsertsMoleculesIntoFixedPositions (2 ms) 30: [----------] 5 tests from InsertMoleculesTest (23 ms total) 30: 30: [----------] 14 tests from GetIrTest 30: [ RUN ] GetIrTest.HandlesDifferentKindsOfMdpLines 30: Ignoring obsolete mdp entry 'title' 30: Replacing old mdp entry 'xtc_grps' by 'compressed-x-grps' 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_HandlesDifferentKindsOfMdpLines_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.HandlesDifferentKindsOfMdpLines (2 ms) 30: [ RUN ] GetIrTest.RejectsNonCommentLineWithNoEquals 30: [ OK ] GetIrTest.RejectsNonCommentLineWithNoEquals (5 ms) 30: [ RUN ] GetIrTest.AcceptsKeyWithoutValue 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsKeyWithoutValue_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsKeyWithoutValue (2 ms) 30: [ RUN ] GetIrTest.RejectsValueWithoutKey 30: [ OK ] GetIrTest.RejectsValueWithoutKey (5 ms) 30: [ RUN ] GetIrTest.RejectsEmptyKeyAndEmptyValue 30: [ OK ] GetIrTest.RejectsEmptyKeyAndEmptyValue (4 ms) 30: [ RUN ] GetIrTest.AcceptsDefineParametersWithValuesIncludingAssignment 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsDefineParametersWithValuesIncludingAssignment_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsDefineParametersWithValuesIncludingAssignment (3 ms) 30: [ RUN ] GetIrTest.AcceptsEmptyLines 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsEmptyLines_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsEmptyLines (2 ms) 30: [ RUN ] GetIrTest.AcceptsElectricField 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricField_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsElectricField (2 ms) 30: [ RUN ] GetIrTest.AcceptsElectricFieldPulsed 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricFieldPulsed_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsElectricFieldPulsed (2 ms) 30: [ RUN ] GetIrTest.AcceptsElectricFieldOscillating 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsElectricFieldOscillating_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsElectricFieldOscillating (2 ms) 30: [ RUN ] GetIrTest.RejectsDuplicateOldAndNewKeys 30: [ OK ] GetIrTest.RejectsDuplicateOldAndNewKeys (18 ms) 30: [ RUN ] GetIrTest.AcceptsImplicitSolventNo 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsImplicitSolventNo_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsImplicitSolventNo (15 ms) 30: [ RUN ] GetIrTest.RejectsImplicitSolventYes 30: [ OK ] GetIrTest.RejectsImplicitSolventYes (7 ms) 30: [ RUN ] GetIrTest.AcceptsMimic 30: 30: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/GetIrTest_AcceptsMimic_input.mdp]: 30: For a correct single-point energy evaluation with nsteps = 0, use 30: continuation = yes to avoid constraining the input coordinates. 30: 30: [ OK ] GetIrTest.AcceptsMimic (2 ms) 30: [----------] 14 tests from GetIrTest (72 ms total) 30: 30: [----------] 5 tests from SolvateTest 30: [ RUN ] SolvateTest.cs_box_Works 30: Reading solvent configuration 30: 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Generating solvent configuration 30: Will generate new solvent configuration of 1x1x1 boxes 30: Solvent box contains 270 atoms in 90 residues 30: Removed 129 solvent atoms due to solvent-solvent overlap 30: Sorting configuration 30: Found 1 molecule type: 30: SOL ( 3 atoms): 47 residues 30: Generated solvent containing 141 atoms in 47 residues 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_cs_box_Works_out.gro 30: 30: Output configuration contains 141 atoms in 47 residues 30: Volume : 1.331 (nm^3) 30: Density : 1056.36 (g/l) 30: Number of solvent molecules: 47 30: 30: [ OK ] SolvateTest.cs_box_Works (7 ms) 30: [ RUN ] SolvateTest.cs_cp_Works 30: Reading solute configuration 30: Reading solvent configuration 30: 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Generating solvent configuration 30: Will generate new solvent configuration of 2x2x2 boxes 30: Solvent box contains 3660 atoms in 1220 residues 30: Removed 987 solvent atoms due to solvent-solvent overlap 30: Removed 15 solvent atoms due to solute-solvent overlap 30: Sorting configuration 30: Found 1 molecule type: 30: SOL ( 3 atoms): 886 residues 30: Generated solvent containing 2658 atoms in 886 residues 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_cs_cp_Works_out.gro 30: 30: Output configuration contains 2664 atoms in 888 residues 30: Volume : 27.2709 (nm^3) 30: Density : 974.777 (g/l) 30: Number of solvent molecules: 886 30: 30: [ OK ] SolvateTest.cs_cp_Works (37 ms) 30: [ RUN ] SolvateTest.cs_cp_p_Works 30: Reading solute configuration 30: Reading solvent configuration 30: 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Generating solvent configuration 30: Will generate new solvent configuration of 2x2x2 boxes 30: Solvent box contains 3660 atoms in 1220 residues 30: Removed 987 solvent atoms due to solvent-solvent overlap 30: Removed 15 solvent atoms due to solute-solvent overlap 30: Sorting configuration 30: Found 1 molecule type: 30: SOL ( 3 atoms): 886 residues 30: Generated solvent containing 2658 atoms in 886 residues 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_cs_cp_p_Works_out.gro 30: 30: Output configuration contains 2664 atoms in 888 residues 30: Volume : 27.2709 (nm^3) 30: Density : 974.777 (g/l) 30: Number of solvent molecules: 886 30: 30: Processing topology 30: Adding line for 886 solvent molecules with resname (SOL) to topology file (/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_cs_cp_p_Works_spc-and-methanol.top) 30: [ OK ] SolvateTest.cs_cp_p_Works (53 ms) 30: [ RUN ] SolvateTest.shell_Works 30: Reading solute configuration 30: Reading solvent configuration 30: 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Generating solvent configuration 30: Will generate new solvent configuration of 2x2x2 boxes 30: Solvent box contains 3660 atoms in 1220 residues 30: Removed 987 solvent atoms due to solvent-solvent overlap 30: Removed 1902 solvent atoms more than 1.000000 nm from solute. 30: Removed 15 solvent atoms due to solute-solvent overlap 30: Sorting configuration 30: Found 1 molecule type: 30: SOL ( 3 atoms): 252 residues 30: Generated solvent containing 756 atoms in 252 residues 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_shell_Works_out.gro 30: 30: Output configuration contains 762 atoms in 254 residues 30: Volume : 27.2709 (nm^3) 30: Density : 279.3 (g/l) 30: Number of solvent molecules: 252 30: 30: [ OK ] SolvateTest.shell_Works (18 ms) 30: [ RUN ] SolvateTest.update_Topology_Works 30: Reading solute configuration 30: Reading solvent configuration 30: 30: Initialising inter-atomic distances... 30: 30: WARNING: Masses and atomic (Van der Waals) radii will be guessed 30: based on residue and atom names, since they could not be 30: definitively assigned from the information in your input 30: files. These guessed numbers might deviate from the mass 30: and radius of the atom type. Please check the output 30: files if necessary. 30: 30: NOTE: From version 5.0 gmxpreprocess-test uses the Van der Waals radii 30: from the source below. This means the results may be different 30: compared to previous GROMACS versions. 30: 30: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 30: A. Bondi 30: van der Waals Volumes and Radii 30: J. Phys. Chem. 68 (1964) pp. 441-451 30: -------- -------- --- Thank You --- -------- -------- 30: 30: Generating solvent configuration 30: Will generate new solvent configuration of 3x3x3 boxes 30: Solvent box contains 14952 atoms in 4984 residues 30: Removed 2787 solvent atoms due to solvent-solvent overlap 30: Removed 30 solvent atoms due to solute-solvent overlap 30: Sorting configuration 30: Found 2 different molecule types: 30: HOH ( 3 atoms): 1876 residues 30: SOL ( 3 atoms): 2169 residues 30: Generated solvent containing 0 atoms in 0 residues 30: Writing generated configuration to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_out.gro 30: 30: Output configuration contains 12141 atoms in 4047 residues 30: Volume : 125 (nm^3) 30: Density : 968.963 (g/l) 30: Number of solvent molecules: 4045 30: 30: Processing topology 30: Adding line for 1876 solvent molecules with resname (HOH) to topology file (/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_simple.top) 30: Adding line for 2169 solvent molecules with resname (SOL) to topology file (/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/gmxpreprocess/tests/Testing/Temporary/SolvateTest_update_Topology_Works_simple.top) 30: [ OK ] SolvateTest.update_Topology_Works (219 ms) 30: [----------] 5 tests from SolvateTest (334 ms total) 30: 30: [----------] 1 test from TopDirTests 30: [ RUN ] TopDirTests.NamesArrayHasCorrectSize 30: [ OK ] TopDirTests.NamesArrayHasCorrectSize (0 ms) 30: [----------] 1 test from TopDirTests (0 ms total) 30: 30: [----------] Global test environment tear-down 30: [==========] 51 tests from 9 test cases ran. (1696 ms total) 30: [ PASSED ] 51 tests. 30/54 Test #30: GmxPreprocessTests .................. Passed 1.75 sec test 31 Start 31: Pdb2gmx1Test 31: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/pdb2gmx1-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/Pdb2gmx1Test.xml" 31: Test timeout computed to be: 30 31: [==========] Running 24 tests from 1 test case. 31: [----------] Global test environment set-up. 31: [----------] 24 tests from ForOplsaa/Pdb2gmxTest 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/0 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 25 donors and 23 acceptors were found. 31: There are 41 hydrogen bonds 31: Will use HISE for residue 8 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS3 HIS8 31: SG9 NE251 31: HIS8 NE251 1.055 31: MET12 SD83 0.763 0.990 31: Making bonds... 31: Number of bonds was 254, now 254 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 653 pairs 31: Before cleaning: 663 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 663 dihedrals, 51 impropers, 457 angles 31: 650 pairs, 254 bonds and 0 virtual sites 31: Total mass 1846.112 a.m.u. 31: Total charge 0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 31: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 128 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (128 atoms, 16 residues) 31: Identified residue ALA2 as a starting terminus. 31: Identified residue SER17 as a ending terminus. 31: Start terminus ALA-2: NH3+ 31: End terminus SER-17: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 252 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/0 (85 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/1 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 30 donors and 22 acceptors were found. 31: There are 36 hydrogen bonds 31: Will use HISE for residue 29 31: Will use HISE for residue 32 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS27 HIS29 31: SG90 NE2111 31: HIS29 NE2111 0.987 31: HIS32 NE2135 1.590 1.155 31: Making bonds... 31: Number of bonds was 290, now 290 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 748 pairs 31: Before cleaning: 778 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 778 dihedrals, 72 impropers, 516 angles 31: 736 pairs, 290 bonds and 0 virtual sites 31: Total mass 2088.357 a.m.u. 31: Total charge 1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 31: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 149 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (149 atoms, 16 residues) 31: Identified residue THR18 as a starting terminus. 31: Identified residue PHE33 as a ending terminus. 31: Start terminus THR-18: NH3+ 31: End terminus PHE-33: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 281 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/1 (93 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/2 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 22 acceptors were found. 31: There are 26 hydrogen bonds 31: Will use HISE for residue 45 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS45 31: NE295 31: MET46 SD102 1.078 31: Making bonds... 31: Number of bonds was 261, now 261 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 676 pairs 31: Before cleaning: 696 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 696 dihedrals, 56 impropers, 472 angles 31: 667 pairs, 261 bonds and 0 virtual sites 31: Total mass 1861.128 a.m.u. 31: Total charge -1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 31: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 132 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (132 atoms, 16 residues) 31: Identified residue ALA34 as a starting terminus. 31: Identified residue ALA49 as a ending terminus. 31: Start terminus ALA-34: NH3+ 31: End terminus ALA-49: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 255 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/2 (288 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/3 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 21 acceptors were found. 31: There are 30 hydrogen bonds 31: Will use HISE for residue 60 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS60 31: NE285 31: CYS62 SG98 0.803 31: Making bonds... 31: Number of bonds was 232, now 232 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 603 pairs 31: Before cleaning: 618 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 618 dihedrals, 48 impropers, 419 angles 31: 597 pairs, 232 bonds and 0 virtual sites 31: Total mass 1662.883 a.m.u. 31: Total charge 0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 31: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 117 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (117 atoms, 16 residues) 31: Identified residue LYS50 as a starting terminus. 31: Identified residue PRO65 as a ending terminus. 31: Start terminus LYS-50: NH3+ 31: End terminus PRO-65: PRO-COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 228 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/3 (101 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/4 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 25 donors and 23 acceptors were found. 31: There are 41 hydrogen bonds 31: Will use HISE for residue 8 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS3 HIS8 31: SG9 NE251 31: HIS8 NE251 1.055 31: MET12 SD83 0.763 0.990 31: Making bonds... 31: Number of bonds was 254, now 254 31: Marked 124 virtual sites 31: Added 16 dummy masses 31: Added 26 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 653 pairs 31: Before cleaning: 663 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 663 dihedrals, 51 impropers, 457 angles 31: 650 pairs, 254 bonds and 130 virtual sites 31: Total mass 1846.112 a.m.u. 31: Total charge 0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 31: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 128 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (128 atoms, 16 residues) 31: Identified residue ALA2 as a starting terminus. 31: Identified residue SER17 as a ending terminus. 31: Start terminus ALA-2: NH3+ 31: End terminus SER-17: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 252 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/4 (106 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/5 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 30 donors and 22 acceptors were found. 31: There are 36 hydrogen bonds 31: Will use HISE for residue 29 31: Will use HISE for residue 32 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS27 HIS29 31: SG90 NE2111 31: HIS29 NE2111 0.987 31: HIS32 NE2135 1.590 1.155 31: Making bonds... 31: Number of bonds was 290, now 290 31: Marked 132 virtual sites 31: Added 10 dummy masses 31: Added 19 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 748 pairs 31: Before cleaning: 778 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 778 dihedrals, 72 impropers, 516 angles 31: 736 pairs, 290 bonds and 133 virtual sites 31: Total mass 2088.357 a.m.u. 31: Total charge 1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 31: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 149 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (149 atoms, 16 residues) 31: Identified residue THR18 as a starting terminus. 31: Identified residue PHE33 as a ending terminus. 31: Start terminus THR-18: NH3+ 31: End terminus PHE-33: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 281 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/5 (154 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/6 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 22 acceptors were found. 31: There are 26 hydrogen bonds 31: Will use HISE for residue 45 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS45 31: NE295 31: MET46 SD102 1.078 31: Making bonds... 31: Number of bonds was 261, now 261 31: Marked 123 virtual sites 31: Added 22 dummy masses 31: Added 35 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 676 pairs 31: Before cleaning: 696 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 696 dihedrals, 56 impropers, 472 angles 31: 667 pairs, 261 bonds and 132 virtual sites 31: Total mass 1861.128 a.m.u. 31: Total charge -1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 31: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 132 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (132 atoms, 16 residues) 31: Identified residue ALA34 as a starting terminus. 31: Identified residue ALA49 as a ending terminus. 31: Start terminus ALA-34: NH3+ 31: End terminus ALA-49: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 255 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/6 (101 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/7 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 21 acceptors were found. 31: There are 30 hydrogen bonds 31: Will use HISE for residue 60 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS60 31: NE285 31: CYS62 SG98 0.803 31: Making bonds... 31: Number of bonds was 232, now 232 31: Marked 111 virtual sites 31: Added 18 dummy masses 31: Added 31 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 603 pairs 31: Before cleaning: 618 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 618 dihedrals, 48 impropers, 419 angles 31: 597 pairs, 232 bonds and 116 virtual sites 31: Total mass 1662.883 a.m.u. 31: Total charge 0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 31: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 117 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (117 atoms, 16 residues) 31: Identified residue LYS50 as a starting terminus. 31: Identified residue PRO65 as a ending terminus. 31: Start terminus LYS-50: NH3+ 31: End terminus PRO-65: PRO-COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 228 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 31: The Oplsaa force field and the tip3p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/7 (99 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/8 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 25 donors and 23 acceptors were found. 31: There are 41 hydrogen bonds 31: Will use HISE for residue 8 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS3 HIS8 31: SG9 NE251 31: HIS8 NE251 1.055 31: MET12 SD83 0.763 0.990 31: Making bonds... 31: Number of bonds was 254, now 254 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 653 pairs 31: Before cleaning: 663 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 663 dihedrals, 51 impropers, 457 angles 31: 650 pairs, 254 bonds and 0 virtual sites 31: Total mass 1846.112 a.m.u. 31: Total charge 0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 31: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 128 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (128 atoms, 16 residues) 31: Identified residue ALA2 as a starting terminus. 31: Identified residue SER17 as a ending terminus. 31: Start terminus ALA-2: NH3+ 31: End terminus SER-17: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 252 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/8 (298 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/9 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 30 donors and 22 acceptors were found. 31: There are 36 hydrogen bonds 31: Will use HISE for residue 29 31: Will use HISE for residue 32 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS27 HIS29 31: SG90 NE2111 31: HIS29 NE2111 0.987 31: HIS32 NE2135 1.590 1.155 31: Making bonds... 31: Number of bonds was 290, now 290 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 748 pairs 31: Before cleaning: 778 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 778 dihedrals, 72 impropers, 516 angles 31: 736 pairs, 290 bonds and 0 virtual sites 31: Total mass 2088.357 a.m.u. 31: Total charge 1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 31: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 149 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (149 atoms, 16 residues) 31: Identified residue THR18 as a starting terminus. 31: Identified residue PHE33 as a ending terminus. 31: Start terminus THR-18: NH3+ 31: End terminus PHE-33: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 281 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/9 (136 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/10 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 22 acceptors were found. 31: There are 26 hydrogen bonds 31: Will use HISE for residue 45 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS45 31: NE295 31: MET46 SD102 1.078 31: Making bonds... 31: Number of bonds was 261, now 261 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 676 pairs 31: Before cleaning: 696 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 696 dihedrals, 56 impropers, 472 angles 31: 667 pairs, 261 bonds and 0 virtual sites 31: Total mass 1861.128 a.m.u. 31: Total charge -1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 31: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 132 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (132 atoms, 16 residues) 31: Identified residue ALA34 as a starting terminus. 31: Identified residue ALA49 as a ending terminus. 31: Start terminus ALA-34: NH3+ 31: End terminus ALA-49: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 255 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/10 (152 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/11 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 21 acceptors were found. 31: There are 30 hydrogen bonds 31: Will use HISE for residue 60 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS60 31: NE285 31: CYS62 SG98 0.803 31: Making bonds... 31: Number of bonds was 232, now 232 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 603 pairs 31: Before cleaning: 618 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 618 dihedrals, 48 impropers, 419 angles 31: 597 pairs, 232 bonds and 0 virtual sites 31: Total mass 1662.883 a.m.u. 31: Total charge 0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 31: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 117 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (117 atoms, 16 residues) 31: Identified residue LYS50 as a starting terminus. 31: Identified residue PRO65 as a ending terminus. 31: Start terminus LYS-50: NH3+ 31: End terminus PRO-65: PRO-COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 228 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/11 (119 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/12 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 25 donors and 23 acceptors were found. 31: There are 41 hydrogen bonds 31: Will use HISE for residue 8 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS3 HIS8 31: SG9 NE251 31: HIS8 NE251 1.055 31: MET12 SD83 0.763 0.990 31: Making bonds... 31: Number of bonds was 254, now 254 31: Marked 124 virtual sites 31: Added 16 dummy masses 31: Added 26 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 653 pairs 31: Before cleaning: 663 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 663 dihedrals, 51 impropers, 457 angles 31: 650 pairs, 254 bonds and 130 virtual sites 31: Total mass 1846.112 a.m.u. 31: Total charge 0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 31: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 128 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (128 atoms, 16 residues) 31: Identified residue ALA2 as a starting terminus. 31: Identified residue SER17 as a ending terminus. 31: Start terminus ALA-2: NH3+ 31: End terminus SER-17: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 252 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/12 (68 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/13 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 30 donors and 22 acceptors were found. 31: There are 36 hydrogen bonds 31: Will use HISE for residue 29 31: Will use HISE for residue 32 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS27 HIS29 31: SG90 NE2111 31: HIS29 NE2111 0.987 31: HIS32 NE2135 1.590 1.155 31: Making bonds... 31: Number of bonds was 290, now 290 31: Marked 132 virtual sites 31: Added 10 dummy masses 31: Added 19 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 748 pairs 31: Before cleaning: 778 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 778 dihedrals, 72 impropers, 516 angles 31: 736 pairs, 290 bonds and 133 virtual sites 31: Total mass 2088.357 a.m.u. 31: Total charge 1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 31: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 149 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (149 atoms, 16 residues) 31: Identified residue THR18 as a starting terminus. 31: Identified residue PHE33 as a ending terminus. 31: Start terminus THR-18: NH3+ 31: End terminus PHE-33: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 281 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/13 (150 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/14 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 22 acceptors were found. 31: There are 26 hydrogen bonds 31: Will use HISE for residue 45 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS45 31: NE295 31: MET46 SD102 1.078 31: Making bonds... 31: Number of bonds was 261, now 261 31: Marked 123 virtual sites 31: Added 22 dummy masses 31: Added 35 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 676 pairs 31: Before cleaning: 696 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 696 dihedrals, 56 impropers, 472 angles 31: 667 pairs, 261 bonds and 132 virtual sites 31: Total mass 1861.128 a.m.u. 31: Total charge -1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 31: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 132 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (132 atoms, 16 residues) 31: Identified residue ALA34 as a starting terminus. 31: Identified residue ALA49 as a ending terminus. 31: Start terminus ALA-34: NH3+ 31: End terminus ALA-49: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 255 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/14 (138 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/15 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 21 acceptors were found. 31: There are 30 hydrogen bonds 31: Will use HISE for residue 60 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS60 31: NE285 31: CYS62 SG98 0.803 31: Making bonds... 31: Number of bonds was 232, now 232 31: Marked 111 virtual sites 31: Added 18 dummy masses 31: Added 31 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 603 pairs 31: Before cleaning: 618 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 618 dihedrals, 48 impropers, 419 angles 31: 597 pairs, 232 bonds and 116 virtual sites 31: Total mass 1662.883 a.m.u. 31: Total charge 0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 31: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 117 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (117 atoms, 16 residues) 31: Identified residue LYS50 as a starting terminus. 31: Identified residue PRO65 as a ending terminus. 31: Start terminus LYS-50: NH3+ 31: End terminus PRO-65: PRO-COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 228 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 31: The Oplsaa force field and the tip4p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/15 (105 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/16 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 25 donors and 23 acceptors were found. 31: There are 41 hydrogen bonds 31: Will use HISE for residue 8 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS3 HIS8 31: SG9 NE251 31: HIS8 NE251 1.055 31: MET12 SD83 0.763 0.990 31: Making bonds... 31: Number of bonds was 254, now 254 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 653 pairs 31: Before cleaning: 663 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 663 dihedrals, 51 impropers, 457 angles 31: 650 pairs, 254 bonds and 0 virtual sites 31: Total mass 1846.112 a.m.u. 31: Total charge 0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 31: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 128 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (128 atoms, 16 residues) 31: Identified residue ALA2 as a starting terminus. 31: Identified residue SER17 as a ending terminus. 31: Start terminus ALA-2: NH3+ 31: End terminus SER-17: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 252 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/16 (146 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/17 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 30 donors and 22 acceptors were found. 31: There are 36 hydrogen bonds 31: Will use HISE for residue 29 31: Will use HISE for residue 32 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS27 HIS29 31: SG90 NE2111 31: HIS29 NE2111 0.987 31: HIS32 NE2135 1.590 1.155 31: Making bonds... 31: Number of bonds was 290, now 290 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 748 pairs 31: Before cleaning: 778 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 778 dihedrals, 72 impropers, 516 angles 31: 736 pairs, 290 bonds and 0 virtual sites 31: Total mass 2088.357 a.m.u. 31: Total charge 1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 31: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 149 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (149 atoms, 16 residues) 31: Identified residue THR18 as a starting terminus. 31: Identified residue PHE33 as a ending terminus. 31: Start terminus THR-18: NH3+ 31: End terminus PHE-33: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 281 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/17 (133 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/18 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 22 acceptors were found. 31: There are 26 hydrogen bonds 31: Will use HISE for residue 45 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS45 31: NE295 31: MET46 SD102 1.078 31: Making bonds... 31: Number of bonds was 261, now 261 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 676 pairs 31: Before cleaning: 696 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 696 dihedrals, 56 impropers, 472 angles 31: 667 pairs, 261 bonds and 0 virtual sites 31: Total mass 1861.128 a.m.u. 31: Total charge -1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 31: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 132 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (132 atoms, 16 residues) 31: Identified residue ALA34 as a starting terminus. 31: Identified residue ALA49 as a ending terminus. 31: Start terminus ALA-34: NH3+ 31: End terminus ALA-49: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 255 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/18 (83 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/19 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 21 acceptors were found. 31: There are 30 hydrogen bonds 31: Will use HISE for residue 60 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS60 31: NE285 31: CYS62 SG98 0.803 31: Making bonds... 31: Number of bonds was 232, now 232 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 603 pairs 31: Before cleaning: 618 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 618 dihedrals, 48 impropers, 419 angles 31: 597 pairs, 232 bonds and 0 virtual sites 31: Total mass 1662.883 a.m.u. 31: Total charge 0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 31: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 117 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (117 atoms, 16 residues) 31: Identified residue LYS50 as a starting terminus. 31: Identified residue PRO65 as a ending terminus. 31: Start terminus LYS-50: NH3+ 31: End terminus PRO-65: PRO-COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 228 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/19 (86 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/20 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 25 donors and 23 acceptors were found. 31: There are 41 hydrogen bonds 31: Will use HISE for residue 8 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS3 HIS8 31: SG9 NE251 31: HIS8 NE251 1.055 31: MET12 SD83 0.763 0.990 31: Making bonds... 31: Number of bonds was 254, now 254 31: Marked 124 virtual sites 31: Added 16 dummy masses 31: Added 26 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 653 pairs 31: Before cleaning: 663 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 663 dihedrals, 51 impropers, 457 angles 31: 650 pairs, 254 bonds and 130 virtual sites 31: Total mass 1846.112 a.m.u. 31: Total charge 0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 31: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 128 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (128 atoms, 16 residues) 31: Identified residue ALA2 as a starting terminus. 31: Identified residue SER17 as a ending terminus. 31: Start terminus ALA-2: NH3+ 31: End terminus SER-17: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 252 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/20 (195 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/21 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 30 donors and 22 acceptors were found. 31: There are 36 hydrogen bonds 31: Will use HISE for residue 29 31: Will use HISE for residue 32 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: CYS27 HIS29 31: SG90 NE2111 31: HIS29 NE2111 0.987 31: HIS32 NE2135 1.590 1.155 31: Making bonds... 31: Number of bonds was 290, now 290 31: Marked 132 virtual sites 31: Added 10 dummy masses 31: Added 19 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 748 pairs 31: Before cleaning: 778 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 778 dihedrals, 72 impropers, 516 angles 31: 736 pairs, 290 bonds and 133 virtual sites 31: Total mass 2088.357 a.m.u. 31: Total charge 1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 31: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 149 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (149 atoms, 16 residues) 31: Identified residue THR18 as a starting terminus. 31: Identified residue PHE33 as a ending terminus. 31: Start terminus THR-18: NH3+ 31: End terminus PHE-33: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 281 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/21 (70 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/22 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 22 acceptors were found. 31: There are 26 hydrogen bonds 31: Will use HISE for residue 45 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS45 31: NE295 31: MET46 SD102 1.078 31: Making bonds... 31: Number of bonds was 261, now 261 31: Marked 123 virtual sites 31: Added 22 dummy masses 31: Added 35 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 676 pairs 31: Before cleaning: 696 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 696 dihedrals, 56 impropers, 472 angles 31: 667 pairs, 261 bonds and 132 virtual sites 31: Total mass 1861.128 a.m.u. 31: Total charge -1.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 31: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 132 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (132 atoms, 16 residues) 31: Identified residue ALA34 as a starting terminus. 31: Identified residue ALA49 as a ending terminus. 31: Start terminus ALA-34: NH3+ 31: End terminus ALA-49: COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 255 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/22 (84 ms) 31: [ RUN ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/23 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.r2b 31: All occupancies are one 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/atomtypes.atp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.rtp 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.hdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.n.tdb 31: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/oplsaa.ff/aminoacids.c.tdb 31: Analysing hydrogen-bonding network for automated assignment of histidine 31: protonation. 22 donors and 21 acceptors were found. 31: There are 30 hydrogen bonds 31: Will use HISE for residue 60 31: 8 out of 8 lines of specbond.dat converted successfully 31: Special Atom Distance matrix: 31: HIS60 31: NE285 31: CYS62 SG98 0.803 31: Making bonds... 31: Number of bonds was 232, now 232 31: Marked 111 virtual sites 31: Added 18 dummy masses 31: Added 31 new constraints 31: Generating angles, dihedrals and pairs... 31: Before cleaning: 603 pairs 31: Before cleaning: 618 dihedrals 31: Keeping all generated dihedrals 31: Making cmap torsions... 31: There are 618 dihedrals, 48 impropers, 419 angles 31: 597 pairs, 232 bonds and 116 virtual sites 31: Total mass 1662.883 a.m.u. 31: Total charge 0.000 e 31: Writing topology 31: 31: Writing coordinate file... 31: 31: Using the Oplsaa force field in directory oplsaa.ff 31: 31: going to rename oplsaa.ff/aminoacids.r2b 31: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 31: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 31: Analyzing pdb file 31: Splitting chemical chains based on TER records or chain id changing. 31: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 31: 31: chain #res #atoms 31: 1 ' ' 16 117 31: 31: Reading residue database... (Oplsaa) 31: Processing chain 1 (117 atoms, 16 residues) 31: Identified residue LYS50 as a starting terminus. 31: Identified residue PRO65 as a ending terminus. 31: Start terminus LYS-50: NH3+ 31: End terminus PRO-65: PRO-COO- 31: Checking for duplicate atoms.... 31: Generating any missing hydrogen atoms and/or adding termini. 31: Now there are 16 residues with 228 atoms 31: --------- PLEASE NOTE ------------ 31: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 31: The Oplsaa force field and the tip5p water model are used. 31: --------- ETON ESAELP ------------ 31: [ OK ] ForOplsaa/Pdb2gmxTest.ProducesMatchingTopology/23 (91 ms) 31: [----------] 24 tests from ForOplsaa/Pdb2gmxTest (3082 ms total) 31: 31: [----------] Global test environment tear-down 31: [==========] 24 tests from 1 test case ran. (3082 ms total) 31: [ PASSED ] 24 tests. 31/54 Test #31: Pdb2gmx1Test ........................ Passed 3.09 sec test 32 Start 32: Pdb2gmx2Test 32: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/pdb2gmx2-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/Pdb2gmx2Test.xml" 32: Test timeout computed to be: 30 32: [==========] Running 32 tests from 2 test cases. 32: [----------] Global test environment set-up. 32: [----------] 16 tests from ForGromos43a1/Pdb2gmxTest 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/0 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 172, now 167 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 305 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 77 impropers, 241 angles 32: 267 pairs, 167 bonds and 0 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 165 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/0 (200 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/1 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 216, now 211 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 429 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 134 impropers, 316 angles 32: 273 pairs, 211 bonds and 0 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 202 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/1 (76 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/2 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 179, now 174 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 349 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 102 impropers, 260 angles 32: 242 pairs, 174 bonds and 0 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 168 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/2 (81 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/3 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 159, now 154 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 299 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 80 impropers, 227 angles 32: 232 pairs, 154 bonds and 0 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 150 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/3 (90 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/4 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 172, now 167 32: Marked 37 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 305 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 77 impropers, 241 angles 32: 267 pairs, 167 bonds and 37 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 165 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/4 (93 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/5 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 216, now 211 32: Marked 53 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 429 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 134 impropers, 316 angles 32: 273 pairs, 211 bonds and 51 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 202 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/5 (99 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/6 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 179, now 174 32: Marked 36 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 349 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 102 impropers, 260 angles 32: 242 pairs, 174 bonds and 36 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 168 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/6 (39 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/7 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 159, now 154 32: Marked 33 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 299 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 80 impropers, 227 angles 32: 232 pairs, 154 bonds and 31 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 150 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos43a1 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/7 (65 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/8 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 172, now 167 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 305 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 77 impropers, 241 angles 32: 267 pairs, 167 bonds and 0 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 165 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/8 (46 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/9 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 216, now 211 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 429 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 134 impropers, 316 angles 32: 273 pairs, 211 bonds and 0 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 202 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/9 (80 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/10 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 179, now 174 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 349 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 102 impropers, 260 angles 32: 242 pairs, 174 bonds and 0 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 168 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/10 (90 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/11 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 159, now 154 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 299 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 80 impropers, 227 angles 32: 232 pairs, 154 bonds and 0 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 150 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/11 (120 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/12 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 172, now 167 32: Marked 37 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 305 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 77 impropers, 241 angles 32: 267 pairs, 167 bonds and 37 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 165 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/12 (70 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/13 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 216, now 211 32: Marked 53 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 429 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 134 impropers, 316 angles 32: 273 pairs, 211 bonds and 51 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 202 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/13 (313 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/14 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 179, now 174 32: Marked 36 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 349 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 102 impropers, 260 angles 32: 242 pairs, 174 bonds and 36 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 168 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/14 (77 ms) 32: [ RUN ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/15 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.rtp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos43a1.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 159, now 154 32: Marked 33 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 299 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 80 impropers, 227 angles 32: 232 pairs, 154 bonds and 31 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos43a1 force field in directory gromos43a1.ff 32: 32: going to rename gromos43a1.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos43a1) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 150 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos43a1 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos43a1/Pdb2gmxTest.ProducesMatchingTopology/15 (64 ms) 32: [----------] 16 tests from ForGromos43a1/Pdb2gmxTest (1604 ms total) 32: 32: [----------] 16 tests from ForGromos53a6/Pdb2gmxTest 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/0 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 174, now 169 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 312 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 79 impropers, 245 angles 32: 267 pairs, 169 bonds and 0 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 167 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/0 (60 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/1 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 220, now 215 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 443 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 138 impropers, 324 angles 32: 273 pairs, 215 bonds and 0 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 206 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/1 (74 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/2 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 181, now 176 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 356 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 104 impropers, 264 angles 32: 242 pairs, 176 bonds and 0 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 170 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/2 (41 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/3 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 161, now 156 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 306 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 82 impropers, 231 angles 32: 232 pairs, 156 bonds and 0 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge -0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 152 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/3 (69 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/4 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 174, now 169 32: Marked 39 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 312 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 79 impropers, 245 angles 32: 267 pairs, 169 bonds and 39 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 167 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/4 (48 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/5 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 220, now 215 32: Marked 57 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 443 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 138 impropers, 324 angles 32: 273 pairs, 215 bonds and 55 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 206 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/5 (162 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/6 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 181, now 176 32: Marked 38 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 356 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 104 impropers, 264 angles 32: 242 pairs, 176 bonds and 38 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 170 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/6 (78 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/7 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 161, now 156 32: Marked 35 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 306 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 82 impropers, 231 angles 32: 232 pairs, 156 bonds and 33 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge -0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 152 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos53a6 force field and the spc water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/7 (47 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/8 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 174, now 169 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 312 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 79 impropers, 245 angles 32: 267 pairs, 169 bonds and 0 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 167 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/8 (77 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/9 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 220, now 215 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 443 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 138 impropers, 324 angles 32: 273 pairs, 215 bonds and 0 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 206 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/9 (93 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/10 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 181, now 176 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 356 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 104 impropers, 264 angles 32: 242 pairs, 176 bonds and 0 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 170 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/10 (42 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/11 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 161, now 156 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 306 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 82 impropers, 231 angles 32: 232 pairs, 156 bonds and 0 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge -0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 152 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/11 (69 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/12 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 25 donors and 23 acceptors were found. 32: There are 41 hydrogen bonds 32: Will use HISE for residue 8 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS3 HIS8 32: SG9 NE251 32: HIS8 NE251 1.055 32: MET12 SD83 0.763 0.990 32: Making bonds... 32: Number of bonds was 174, now 169 32: Marked 39 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named SER of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 267 pairs 32: Before cleaning: 312 dihedrals 32: Making cmap torsions... 32: There are 90 dihedrals, 79 impropers, 245 angles 32: 267 pairs, 169 bonds and 39 virtual sites 32: Total mass 1846.116 a.m.u. 32: Total charge 0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 32: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 128 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (128 atoms, 16 residues) 32: Identified residue ALA2 as a starting terminus. 32: Identified residue SER17 as a ending terminus. 32: Start terminus ALA-2: NH3+ 32: End terminus SER-17: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 167 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/12 (44 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/13 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 30 donors and 22 acceptors were found. 32: There are 36 hydrogen bonds 32: Will use HISE for residue 29 32: Will use HISE for residue 32 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: CYS27 HIS29 32: SG90 NE2111 32: HIS29 NE2111 0.987 32: HIS32 NE2135 1.590 1.155 32: Making bonds... 32: Number of bonds was 220, now 215 32: Marked 57 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named THR of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PHE of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 273 pairs 32: Before cleaning: 443 dihedrals 32: Making cmap torsions... 32: There are 93 dihedrals, 138 impropers, 324 angles 32: 273 pairs, 215 bonds and 55 virtual sites 32: Total mass 2088.361 a.m.u. 32: Total charge 1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 32: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 149 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (149 atoms, 16 residues) 32: Identified residue THR18 as a starting terminus. 32: Identified residue PHE33 as a ending terminus. 32: Start terminus THR-18: NH3+ 32: End terminus PHE-33: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 206 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/13 (66 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/14 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 22 acceptors were found. 32: There are 26 hydrogen bonds 32: Will use HISE for residue 45 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS45 32: NE295 32: MET46 SD102 1.078 32: Making bonds... 32: Number of bonds was 181, now 176 32: Marked 38 virtual sites 32: Added 4 dummy masses 32: Added 8 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named ALA of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 242 pairs 32: Before cleaning: 356 dihedrals 32: Making cmap torsions... 32: There are 81 dihedrals, 104 impropers, 264 angles 32: 242 pairs, 176 bonds and 38 virtual sites 32: Total mass 1861.132 a.m.u. 32: Total charge -1.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 32: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 132 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (132 atoms, 16 residues) 32: Identified residue ALA34 as a starting terminus. 32: Identified residue ALA49 as a ending terminus. 32: Start terminus ALA-34: NH3+ 32: End terminus ALA-49: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 170 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/14 (70 ms) 32: [ RUN ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/15 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.r2b 32: All occupancies are one 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/atomtypes.atp 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.rtp 32: Using default: not generating all possible dihedrals 32: Using default: excluding 3 bonded neighbors 32: Using default: generating 1,4 H--H interactions 32: Using default: removing proper dihedrals found on the same bond as a proper dihedral 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.hdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.n.tdb 32: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/gromos53a6.ff/aminoacids.c.tdb 32: Analysing hydrogen-bonding network for automated assignment of histidine 32: protonation. 22 donors and 21 acceptors were found. 32: There are 30 hydrogen bonds 32: Will use HISE for residue 60 32: 8 out of 8 lines of specbond.dat converted successfully 32: Special Atom Distance matrix: 32: HIS60 32: NE285 32: CYS62 SG98 0.803 32: Making bonds... 32: Number of bonds was 161, now 156 32: Marked 35 virtual sites 32: Added 4 dummy masses 32: Added 10 new constraints 32: Generating angles, dihedrals and pairs... 32: 32: WARNING: WARNING: Residue 1 named LYS of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom H used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: 32: WARNING: WARNING: Residue 16 named PRO of a molecule in the input file was mapped 32: to an entry in the topology database, but the atom O used in 32: an interaction of type angle in that entry is not found in the 32: input file. Perhaps your atom and/or residue naming needs to be 32: fixed. 32: 32: 32: Before cleaning: 232 pairs 32: Before cleaning: 306 dihedrals 32: Making cmap torsions... 32: There are 78 dihedrals, 82 impropers, 231 angles 32: 232 pairs, 156 bonds and 33 virtual sites 32: Total mass 1662.887 a.m.u. 32: Total charge -0.000 e 32: Writing topology 32: 32: Writing coordinate file... 32: 32: Using the Gromos53a6 force field in directory gromos53a6.ff 32: 32: going to rename gromos53a6.ff/aminoacids.r2b 32: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 32: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 32: Analyzing pdb file 32: Splitting chemical chains based on TER records or chain id changing. 32: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 32: 32: chain #res #atoms 32: 1 ' ' 16 117 32: 32: Reading residue database... (Gromos53a6) 32: Processing chain 1 (117 atoms, 16 residues) 32: Identified residue LYS50 as a starting terminus. 32: Identified residue PRO65 as a ending terminus. 32: Start terminus LYS-50: NH3+ 32: End terminus PRO-65: COO- 32: Checking for duplicate atoms.... 32: Generating any missing hydrogen atoms and/or adding termini. 32: Now there are 16 residues with 152 atoms 32: --------- PLEASE NOTE ------------ 32: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 32: The Gromos53a6 force field and the spce water model are used. 32: --------- ETON ESAELP ------------ 32: [ OK ] ForGromos53a6/Pdb2gmxTest.ProducesMatchingTopology/15 (40 ms) 32: [----------] 16 tests from ForGromos53a6/Pdb2gmxTest (1080 ms total) 32: 32: [----------] Global test environment tear-down 32: [==========] 32 tests from 2 test cases ran. (2684 ms total) 32: [ PASSED ] 32 tests. 32/54 Test #32: Pdb2gmx2Test ........................ Passed 2.70 sec test 33 Start 33: Pdb2gmx3Test 33: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/pdb2gmx3-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/Pdb2gmx3Test.xml" 33: Test timeout computed to be: 30 33: [==========] Running 28 tests from 4 test cases. 33: [----------] Global test environment set-up. 33: [----------] 8 tests from ForAmber99sb_ildn/Pdb2gmxTest 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/0 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 255, now 254 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 653 pairs 33: Before cleaning: 691 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 691 dihedrals, 51 impropers, 457 angles 33: 650 pairs, 254 bonds and 0 virtual sites 33: Total mass 1846.132 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 128 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (128 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 252 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/0 (180 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/1 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 30 donors and 22 acceptors were found. 33: There are 36 hydrogen bonds 33: Will use HISE for residue 29 33: Will use HISE for residue 32 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS27 HIS29 33: SG90 NE2111 33: HIS29 NE2111 0.987 33: HIS32 NE2135 1.590 1.155 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 291, now 290 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 748 pairs 33: Before cleaning: 788 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 788 dihedrals, 72 impropers, 516 angles 33: 736 pairs, 290 bonds and 0 virtual sites 33: Total mass 2088.366 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 33: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 149 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (149 atoms, 16 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue PHE33 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 281 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/1 (154 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/2 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 22 acceptors were found. 33: There are 26 hydrogen bonds 33: Will use HISE for residue 45 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS45 33: NE295 33: MET46 SD102 1.078 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 262, now 261 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 676 pairs 33: Before cleaning: 727 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 727 dihedrals, 56 impropers, 472 angles 33: 667 pairs, 261 bonds and 0 virtual sites 33: Total mass 1861.124 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 33: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 132 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (132 atoms, 16 residues) 33: Identified residue ALA34 as a starting terminus. 33: Identified residue ALA49 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 255 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/2 (140 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/3 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 21 acceptors were found. 33: There are 30 hydrogen bonds 33: Will use HISE for residue 60 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS60 33: NE285 33: CYS62 SG98 0.803 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 233, now 232 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 603 pairs 33: Before cleaning: 634 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 634 dihedrals, 48 impropers, 419 angles 33: 597 pairs, 232 bonds and 0 virtual sites 33: Total mass 1662.888 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 33: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 117 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (117 atoms, 16 residues) 33: Identified residue LYS50 as a starting terminus. 33: Identified residue PRO65 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 228 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/3 (84 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/4 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 255, now 254 33: Marked 124 virtual sites 33: Added 16 dummy masses 33: Added 26 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 653 pairs 33: Before cleaning: 691 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 691 dihedrals, 51 impropers, 457 angles 33: 650 pairs, 254 bonds and 130 virtual sites 33: Total mass 1846.132 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 128 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (128 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 252 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/4 (106 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/5 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 30 donors and 22 acceptors were found. 33: There are 36 hydrogen bonds 33: Will use HISE for residue 29 33: Will use HISE for residue 32 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS27 HIS29 33: SG90 NE2111 33: HIS29 NE2111 0.987 33: HIS32 NE2135 1.590 1.155 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 291, now 290 33: Marked 132 virtual sites 33: Added 10 dummy masses 33: Added 19 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 748 pairs 33: Before cleaning: 788 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 788 dihedrals, 72 impropers, 516 angles 33: 736 pairs, 290 bonds and 133 virtual sites 33: Total mass 2088.366 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 33: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 149 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (149 atoms, 16 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue PHE33 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 281 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/5 (183 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/6 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 22 acceptors were found. 33: There are 26 hydrogen bonds 33: Will use HISE for residue 45 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS45 33: NE295 33: MET46 SD102 1.078 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 262, now 261 33: Marked 123 virtual sites 33: Added 22 dummy masses 33: Added 35 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 676 pairs 33: Before cleaning: 727 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 727 dihedrals, 56 impropers, 472 angles 33: 667 pairs, 261 bonds and 132 virtual sites 33: Total mass 1861.124 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 33: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 132 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (132 atoms, 16 residues) 33: Identified residue ALA34 as a starting terminus. 33: Identified residue ALA49 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 255 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/6 (134 ms) 33: [ RUN ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/7 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 21 acceptors were found. 33: There are 30 hydrogen bonds 33: Will use HISE for residue 60 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS60 33: NE285 33: CYS62 SG98 0.803 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/amber99sb-ildn.ff/rna.arn 33: Making bonds... 33: Number of bonds was 233, now 232 33: Marked 111 virtual sites 33: Added 18 dummy masses 33: Added 31 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 603 pairs 33: Before cleaning: 634 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 634 dihedrals, 48 impropers, 419 angles 33: 597 pairs, 232 bonds and 116 virtual sites 33: Total mass 1662.888 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Amber99sb-ildn force field in directory amber99sb-ildn.ff 33: 33: going to rename amber99sb-ildn.ff/aminoacids.r2b 33: going to rename amber99sb-ildn.ff/dna.r2b 33: going to rename amber99sb-ildn.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 33: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 117 33: 33: Reading residue database... (Amber99sb-ildn) 33: Processing chain 1 (117 atoms, 16 residues) 33: Identified residue LYS50 as a starting terminus. 33: Identified residue PRO65 as a ending terminus. 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 228 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 33: The Amber99sb-ildn force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForAmber99sb_ildn/Pdb2gmxTest.ProducesMatchingTopology/7 (155 ms) 33: [----------] 8 tests from ForAmber99sb_ildn/Pdb2gmxTest (1137 ms total) 33: 33: [----------] 8 tests from ForCharmm27/Pdb2gmxTest 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/0 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 254, now 254 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 653 pairs 33: Before cleaning: 663 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 663 dihedrals, 48 impropers, 457 angles 33: 650 pairs, 254 bonds and 0 virtual sites 33: Total mass 1846.115 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 128 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (128 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 252 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/0 (318 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/1 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 30 donors and 22 acceptors were found. 33: There are 36 hydrogen bonds 33: Will use HISE for residue 29 33: Will use HISE for residue 32 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS27 HIS29 33: SG90 NE2111 33: HIS29 NE2111 0.987 33: HIS32 NE2135 1.590 1.155 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 290, now 290 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 748 pairs 33: Before cleaning: 778 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 778 dihedrals, 49 impropers, 516 angles 33: 736 pairs, 290 bonds and 0 virtual sites 33: Total mass 2088.361 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 33: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 149 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (149 atoms, 16 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue PHE33 as a ending terminus. 33: Start terminus THR-18: NH3+ 33: End terminus PHE-33: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 281 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/1 (146 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/2 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 22 acceptors were found. 33: There are 26 hydrogen bonds 33: Will use HISE for residue 45 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS45 33: NE295 33: MET46 SD102 1.078 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 261, now 261 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 676 pairs 33: Before cleaning: 696 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 696 dihedrals, 39 impropers, 472 angles 33: 667 pairs, 261 bonds and 0 virtual sites 33: Total mass 1861.130 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 33: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 132 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (132 atoms, 16 residues) 33: Identified residue ALA34 as a starting terminus. 33: Identified residue ALA49 as a ending terminus. 33: Start terminus ALA-34: NH3+ 33: End terminus ALA-49: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 255 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/2 (133 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/3 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 21 acceptors were found. 33: There are 30 hydrogen bonds 33: Will use HISE for residue 60 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS60 33: NE285 33: CYS62 SG98 0.803 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 232, now 232 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 603 pairs 33: Before cleaning: 618 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 618 dihedrals, 38 impropers, 419 angles 33: 597 pairs, 232 bonds and 0 virtual sites 33: Total mass 1662.885 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 33: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 117 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (117 atoms, 16 residues) 33: Identified residue LYS50 as a starting terminus. 33: Identified residue PRO65 as a ending terminus. 33: Start terminus LYS-50: NH3+ 33: End terminus PRO-65: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 228 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/3 (72 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/4 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 254, now 254 33: Marked 124 virtual sites 33: Added 16 dummy masses 33: Added 26 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 653 pairs 33: Before cleaning: 663 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 663 dihedrals, 48 impropers, 457 angles 33: 650 pairs, 254 bonds and 130 virtual sites 33: Total mass 1846.115 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 128 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 128 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 128 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (128 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 252 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment1.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/4 (259 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/5 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 30 donors and 22 acceptors were found. 33: There are 36 hydrogen bonds 33: Will use HISE for residue 29 33: Will use HISE for residue 32 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS27 HIS29 33: SG90 NE2111 33: HIS29 NE2111 0.987 33: HIS32 NE2135 1.590 1.155 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 290, now 290 33: Marked 132 virtual sites 33: Added 10 dummy masses 33: Added 19 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 748 pairs 33: Before cleaning: 778 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 778 dihedrals, 49 impropers, 516 angles 33: 736 pairs, 290 bonds and 133 virtual sites 33: Total mass 2088.361 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb... 33: Read 'Protein (second fragment of regressiontests/complex/aminoacids.gro)', 149 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 149 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 149 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (149 atoms, 16 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue PHE33 as a ending terminus. 33: Start terminus THR-18: NH3+ 33: End terminus PHE-33: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 281 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment2.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/5 (120 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/6 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 22 acceptors were found. 33: There are 26 hydrogen bonds 33: Will use HISE for residue 45 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS45 33: NE295 33: MET46 SD102 1.078 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 261, now 261 33: Marked 123 virtual sites 33: Added 22 dummy masses 33: Added 35 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 676 pairs 33: Before cleaning: 696 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 696 dihedrals, 39 impropers, 472 angles 33: 667 pairs, 261 bonds and 132 virtual sites 33: Total mass 1861.130 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb... 33: Read 'Protein (third fragment of regressiontests/complex/aminoacids.gro)', 132 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 132 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 132 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (132 atoms, 16 residues) 33: Identified residue ALA34 as a starting terminus. 33: Identified residue ALA49 as a ending terminus. 33: Start terminus ALA-34: NH3+ 33: End terminus ALA-49: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 255 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment3.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/6 (497 ms) 33: [ RUN ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/7 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 22 donors and 21 acceptors were found. 33: There are 30 hydrogen bonds 33: Will use HISE for residue 60 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS60 33: NE285 33: CYS62 SG98 0.803 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 232, now 232 33: Marked 111 virtual sites 33: Added 18 dummy masses 33: Added 31 new constraints 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 603 pairs 33: Before cleaning: 618 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 14 cmap torsion pairs 33: There are 618 dihedrals, 38 impropers, 419 angles 33: 597 pairs, 232 bonds and 116 virtual sites 33: Total mass 1662.885 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb... 33: Read 'Protein (fourth fragment of regressiontests/complex/aminoacids.gro)', 117 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 1 chains and 0 blocks of water and 16 residues with 117 atoms 33: 33: chain #res #atoms 33: 1 ' ' 16 117 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 (117 atoms, 16 residues) 33: Identified residue LYS50 as a starting terminus. 33: Identified residue PRO65 as a ending terminus. 33: Start terminus LYS-50: NH3+ 33: End terminus PRO-65: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 228 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/fragment4.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ForCharmm27/Pdb2gmxTest.ProducesMatchingTopology/7 (230 ms) 33: [----------] 8 tests from ForCharmm27/Pdb2gmxTest (1777 ms total) 33: 33: [----------] 8 tests from ChainSep/Pdb2gmxTest 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/0 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 258, now 258 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 651 pairs 33: Before cleaning: 661 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 10 cmap torsion pairs 33: There are 661 dihedrals, 46 impropers, 463 angles 33: 648 pairs, 258 bonds and 0 virtual sites 33: Total mass 1882.146 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on changing chain id only (ignoring TER records). 33: 33: Merged chains into joint molecule definitions at 2 places. 33: 33: There are 1 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 16 127 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (127 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue GLU5 as a ending terminus. 33: Identified residue PHE6 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus GLU-5: COO- 33: Start terminus PHE-6: NH3+ 33: End terminus MET-12: COO- 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 258 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/0 (228 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/1 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 50, now 50 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 123 pairs 33: Before cleaning: 123 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 2 cmap torsion pairs 33: There are 123 dihedrals, 9 impropers, 88 angles 33: 123 pairs, 50 bonds and 0 virtual sites 33: Total mass 434.421 a.m.u. 33: Total charge -2.000 e 33: Writing topology 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 10 donors and 7 acceptors were found. 33: There are 7 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: HIS8 33: NE223 33: MET12 SD55 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 125, now 125 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 317 pairs 33: Before cleaning: 322 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 5 cmap torsion pairs 33: There are 322 dihedrals, 19 impropers, 227 angles 33: 314 pairs, 125 bonds and 0 virtual sites 33: Total mass 846.083 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 83, now 83 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 211 pairs 33: Before cleaning: 216 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 3 cmap torsion pairs 33: There are 216 dihedrals, 18 impropers, 148 angles 33: 211 pairs, 83 bonds and 0 virtual sites 33: Total mass 601.643 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: Now there are 258 atoms and 16 residues 33: Total mass in system 1882.146 a.m.u. 33: Total charge in system 0.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on changing chain id only (ignoring TER records). 33: There are 3 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 4 28 33: 2 'B' 7 58 33: 3 'C' 5 41 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (28 atoms, 4 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue GLU5 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus GLU-5: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 4 residues with 51 atoms 33: Chain time... 33: Processing chain 2 'B' (58 atoms, 7 residues) 33: Identified residue PHE6 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Start terminus PHE-6: NH3+ 33: End terminus MET-12: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 7 residues with 124 atoms 33: Chain time... 33: Processing chain 3 'C' (41 atoms, 5 residues) 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 5 residues with 83 atoms 33: Chain time... 33: Including chain 1 in system: 51 atoms 4 residues 33: Including chain 2 in system: 124 atoms 7 residues 33: Including chain 3 in system: 83 atoms 5 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/1 (108 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/2 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 258, now 258 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 651 pairs 33: Before cleaning: 661 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 10 cmap torsion pairs 33: There are 661 dihedrals, 46 impropers, 463 angles 33: 648 pairs, 258 bonds and 0 virtual sites 33: Total mass 1882.146 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records only (ignoring chain id). 33: 33: Merged chains into joint molecule definitions at 2 places. 33: 33: There are 1 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 16 127 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (127 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue ILE9 as a ending terminus. 33: Identified residue LYS10 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus ILE-9: COO- 33: Start terminus LYS-10: NH3+ 33: End terminus MET-12: COO- 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 258 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/2 (283 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/3 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 10 donors and 12 acceptors were found. 33: There are 13 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 33: SG9 33: HIS8 NE251 1.055 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 115, now 115 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 288 pairs 33: Before cleaning: 293 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 6 cmap torsion pairs 33: There are 293 dihedrals, 23 impropers, 203 angles 33: 285 pairs, 115 bonds and 0 virtual sites 33: Total mass 888.952 a.m.u. 33: Total charge -2.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 60, now 60 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 152 pairs 33: Before cleaning: 152 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 152 dihedrals, 5 impropers, 112 angles 33: 152 pairs, 60 bonds and 0 virtual sites 33: Total mass 391.552 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 83, now 83 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 211 pairs 33: Before cleaning: 216 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 3 cmap torsion pairs 33: There are 216 dihedrals, 18 impropers, 148 angles 33: 211 pairs, 83 bonds and 0 virtual sites 33: Total mass 601.643 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: Now there are 258 atoms and 16 residues 33: Total mass in system 1882.146 a.m.u. 33: Total charge in system 0.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records only (ignoring chain id). 33: There are 3 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 8 61 33: 2 'B' 3 25 33: 3 'C' 5 41 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (61 atoms, 8 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue ILE9 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus ILE-9: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 8 residues with 114 atoms 33: Chain time... 33: Processing chain 2 'B' (25 atoms, 3 residues) 33: Identified residue LYS10 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Start terminus LYS-10: NH3+ 33: End terminus MET-12: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 61 atoms 33: Chain time... 33: Processing chain 3 'C' (41 atoms, 5 residues) 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 5 residues with 83 atoms 33: Chain time... 33: Including chain 1 in system: 114 atoms 8 residues 33: Including chain 2 in system: 61 atoms 3 residues 33: Including chain 3 in system: 83 atoms 5 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/3 (42 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/4 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 260, now 260 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 650 pairs 33: Before cleaning: 660 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 8 cmap torsion pairs 33: There are 660 dihedrals, 45 impropers, 466 angles 33: 647 pairs, 260 bonds and 0 virtual sites 33: Total mass 1900.162 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: 33: Merged chains into joint molecule definitions at 3 places. 33: 33: There are 1 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 16 127 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (127 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue GLU5 as a ending terminus. 33: Identified residue PHE6 as a starting terminus. 33: Identified residue ILE9 as a ending terminus. 33: Identified residue LYS10 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus GLU-5: COO- 33: Start terminus PHE-6: NH3+ 33: End terminus ILE-9: COO- 33: Start terminus LYS-10: NH3+ 33: End terminus MET-12: COO- 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 261 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/4 (103 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/5 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 50, now 50 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 123 pairs 33: Before cleaning: 123 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 2 cmap torsion pairs 33: There are 123 dihedrals, 9 impropers, 88 angles 33: 123 pairs, 50 bonds and 0 virtual sites 33: Total mass 434.421 a.m.u. 33: Total charge -2.000 e 33: Writing topology 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 6 donors and 4 acceptors were found. 33: There are 3 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 67, now 67 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 164 pairs 33: Before cleaning: 169 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 2 cmap torsion pairs 33: There are 169 dihedrals, 13 impropers, 118 angles 33: 161 pairs, 67 bonds and 0 virtual sites 33: Total mass 472.547 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 60, now 60 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 152 pairs 33: Before cleaning: 152 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 152 dihedrals, 5 impropers, 112 angles 33: 152 pairs, 60 bonds and 0 virtual sites 33: Total mass 391.552 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 83, now 83 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 211 pairs 33: Before cleaning: 216 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 3 cmap torsion pairs 33: There are 216 dihedrals, 18 impropers, 148 angles 33: 211 pairs, 83 bonds and 0 virtual sites 33: Total mass 601.643 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: Now there are 261 atoms and 16 residues 33: Total mass in system 1900.162 a.m.u. 33: Total charge in system 0.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: WARNING: Chain identifier 'B' is used in two non-sequential blocks. 33: They will be treated as separate chains unless you reorder your file. 33: There are 4 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 4 28 33: 2 'B' 4 33 33: 3 'B' 3 25 33: 4 'C' 5 41 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (28 atoms, 4 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue GLU5 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus GLU-5: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 4 residues with 51 atoms 33: Chain time... 33: Processing chain 2 'B' (33 atoms, 4 residues) 33: Identified residue PHE6 as a starting terminus. 33: Identified residue ILE9 as a ending terminus. 33: Start terminus PHE-6: NH3+ 33: End terminus ILE-9: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 4 residues with 66 atoms 33: Chain time... 33: Processing chain 3 'B' (25 atoms, 3 residues) 33: Identified residue LYS10 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Start terminus LYS-10: NH3+ 33: End terminus MET-12: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 61 atoms 33: Chain time... 33: Processing chain 4 'C' (41 atoms, 5 residues) 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 5 residues with 83 atoms 33: Chain time... 33: Including chain 1 in system: 51 atoms 4 residues 33: Including chain 2 in system: 66 atoms 4 residues 33: Including chain 3 in system: 61 atoms 3 residues 33: Including chain 4 in system: 83 atoms 5 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/5 (72 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/6 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 25 donors and 23 acceptors were found. 33: There are 41 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 256, now 256 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 652 pairs 33: Before cleaning: 662 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 12 cmap torsion pairs 33: There are 662 dihedrals, 47 impropers, 460 angles 33: 649 pairs, 256 bonds and 0 virtual sites 33: Total mass 1864.131 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records and chain id changing. 33: 33: Merged chains into joint molecule definitions at 1 places. 33: 33: There are 1 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 16 127 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (127 atoms, 16 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus MET-12: COO- 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 16 residues with 255 atoms 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/6 (99 ms) 33: [ RUN ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/7 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: Analysing hydrogen-bonding network for automated assignment of histidine 33: protonation. 14 donors and 15 acceptors were found. 33: There are 20 hydrogen bonds 33: Will use HISE for residue 8 33: 8 out of 8 lines of specbond.dat converted successfully 33: Special Atom Distance matrix: 33: CYS3 HIS8 33: SG9 NE251 33: HIS8 NE251 1.055 33: MET12 SD83 0.763 0.990 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 173, now 173 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 441 pairs 33: Before cleaning: 446 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 9 cmap torsion pairs 33: There are 446 dihedrals, 29 impropers, 312 angles 33: 438 pairs, 173 bonds and 0 virtual sites 33: Total mass 1262.488 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 83, now 83 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 211 pairs 33: Before cleaning: 216 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 3 cmap torsion pairs 33: There are 216 dihedrals, 18 impropers, 148 angles 33: 211 pairs, 83 bonds and 0 virtual sites 33: Total mass 601.643 a.m.u. 33: Total charge 1.000 e 33: Writing topology 33: Now there are 255 atoms and 16 residues 33: Total mass in system 1864.131 a.m.u. 33: Total charge in system 0.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb... 33: Read 'Protein (first fragment of regressiontests/complex/aminoacids.gro)', 127 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records and chain id changing. 33: There are 2 chains and 0 blocks of water and 16 residues with 127 atoms 33: 33: chain #res #atoms 33: 1 'A' 11 86 33: 2 'C' 5 41 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (86 atoms, 11 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue MET12 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus MET-12: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 11 residues with 172 atoms 33: Chain time... 33: Processing chain 2 'C' (41 atoms, 5 residues) 33: Identified residue ASN13 as a starting terminus. 33: Identified residue SER17 as a ending terminus. 33: Start terminus ASN-13: NH3+ 33: End terminus SER-17: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 5 residues with 83 atoms 33: Chain time... 33: Including chain 1 in system: 172 atoms 11 residues 33: Including chain 2 in system: 83 atoms 5 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/chainTer.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainSep/Pdb2gmxTest.ProducesMatchingTopology/7 (44 ms) 33: [----------] 8 tests from ChainSep/Pdb2gmxTest (980 ms total) 33: 33: [----------] 4 tests from ChainChanges/Pdb2gmxTest 33: [ RUN ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/0 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 35, now 35 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 83 pairs 33: Before cleaning: 83 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 83 dihedrals, 6 impropers, 61 angles 33: 83 pairs, 35 bonds and 0 virtual sites 33: Total mass 306.314 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 58, now 58 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 145 pairs 33: Before cleaning: 150 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 150 dihedrals, 5 impropers, 103 angles 33: 142 pairs, 58 bonds and 0 virtual sites 33: Total mass 404.468 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: Now there are 93 atoms and 6 residues 33: Total mass in system 710.782 a.m.u. 33: Total charge in system -1.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb... 33: Read 'Fragments of peptides and ions', 47 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on changing chain id only (ignoring TER records). 33: There are 2 chains and 0 blocks of water and 6 residues with 47 atoms 33: 33: chain #res #atoms 33: 1 'A' 3 19 33: 2 'B' 3 28 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (19 atoms, 3 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue ASP4 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus ASP-4: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 36 atoms 33: Chain time... 33: Processing chain 2 'B' (28 atoms, 3 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue TRP20 as a ending terminus. 33: Start terminus THR-18: NH3+ 33: End terminus TRP-20: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 57 atoms 33: Chain time... 33: Including chain 1 in system: 36 atoms 3 residues 33: Including chain 2 in system: 57 atoms 3 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/0 (52 ms) 33: [ RUN ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/1 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 35, now 35 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 83 pairs 33: Before cleaning: 83 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 83 dihedrals, 6 impropers, 61 angles 33: 83 pairs, 35 bonds and 0 virtual sites 33: Total mass 306.314 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 58, now 58 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 145 pairs 33: Before cleaning: 150 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 150 dihedrals, 5 impropers, 103 angles 33: 142 pairs, 58 bonds and 0 virtual sites 33: Total mass 404.468 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: Now there are 93 atoms and 6 residues 33: Total mass in system 710.782 a.m.u. 33: Total charge in system -1.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb... 33: Read 'Fragments of peptides and ions', 47 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records only (ignoring chain id). 33: There are 2 chains and 0 blocks of water and 6 residues with 47 atoms 33: 33: chain #res #atoms 33: 1 'A' 3 19 33: 2 'B' 3 28 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (19 atoms, 3 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue ASP4 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus ASP-4: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 36 atoms 33: Chain time... 33: Processing chain 2 'B' (28 atoms, 3 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue TRP20 as a ending terminus. 33: Start terminus THR-18: NH3+ 33: End terminus TRP-20: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 57 atoms 33: Chain time... 33: Including chain 1 in system: 36 atoms 3 residues 33: Including chain 2 in system: 57 atoms 3 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/1 (47 ms) 33: [ RUN ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/2 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 35, now 35 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 83 pairs 33: Before cleaning: 83 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 83 dihedrals, 6 impropers, 61 angles 33: 83 pairs, 35 bonds and 0 virtual sites 33: Total mass 306.314 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 58, now 58 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 145 pairs 33: Before cleaning: 150 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 150 dihedrals, 5 impropers, 103 angles 33: 142 pairs, 58 bonds and 0 virtual sites 33: Total mass 404.468 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: Now there are 93 atoms and 6 residues 33: Total mass in system 710.782 a.m.u. 33: Total charge in system -1.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb... 33: Read 'Fragments of peptides and ions', 47 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records or chain id changing. 33: There are 2 chains and 0 blocks of water and 6 residues with 47 atoms 33: 33: chain #res #atoms 33: 1 'A' 3 19 33: 2 'B' 3 28 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (19 atoms, 3 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue ASP4 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus ASP-4: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 36 atoms 33: Chain time... 33: Processing chain 2 'B' (28 atoms, 3 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue TRP20 as a ending terminus. 33: Start terminus THR-18: NH3+ 33: End terminus TRP-20: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 57 atoms 33: Chain time... 33: Including chain 1 in system: 36 atoms 3 residues 33: Including chain 2 in system: 57 atoms 3 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/2 (254 ms) 33: [ RUN ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/3 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.r2b 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.r2b 33: All occupancies are one 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/atomtypes.atp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.rtp 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/lipids.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.hdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.n.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.c.tdb 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.c.tdb 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 35, now 35 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 83 pairs 33: Before cleaning: 83 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 83 dihedrals, 6 impropers, 61 angles 33: 83 pairs, 35 bonds and 0 virtual sites 33: Total mass 306.314 a.m.u. 33: Total charge -1.000 e 33: Writing topology 33: 8 out of 8 lines of specbond.dat converted successfully 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/aminoacids.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/dna.arn 33: Opening force field file /build/gromacs-lj8Hdg/gromacs-2020.6/share/top/charmm27.ff/rna.arn 33: Making bonds... 33: Number of bonds was 58, now 58 33: Generating angles, dihedrals and pairs... 33: Before cleaning: 145 pairs 33: Before cleaning: 150 dihedrals 33: Keeping all generated dihedrals 33: Making cmap torsions... 33: There are 1 cmap torsion pairs 33: There are 150 dihedrals, 5 impropers, 103 angles 33: 142 pairs, 58 bonds and 0 virtual sites 33: Total mass 404.468 a.m.u. 33: Total charge 0.000 e 33: Writing topology 33: Now there are 93 atoms and 6 residues 33: Total mass in system 710.782 a.m.u. 33: Total charge in system -1.000 e 33: 33: Writing coordinate file... 33: 33: Using the Charmm27 force field in directory charmm27.ff 33: 33: going to rename charmm27.ff/aminoacids.r2b 33: going to rename charmm27.ff/rna.r2b 33: Reading /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb... 33: Read 'Fragments of peptides and ions', 47 atoms 33: Analyzing pdb file 33: Splitting chemical chains based on TER records and chain id changing. 33: There are 2 chains and 0 blocks of water and 6 residues with 47 atoms 33: 33: chain #res #atoms 33: 1 'A' 3 19 33: 2 'B' 3 28 33: 33: Reading residue database... (Charmm27) 33: Processing chain 1 'A' (19 atoms, 3 residues) 33: Identified residue ALA2 as a starting terminus. 33: Identified residue ASP4 as a ending terminus. 33: Start terminus ALA-2: NH3+ 33: End terminus ASP-4: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 36 atoms 33: Chain time... 33: Processing chain 2 'B' (28 atoms, 3 residues) 33: Identified residue THR18 as a starting terminus. 33: Identified residue TRP20 as a ending terminus. 33: Start terminus THR-18: NH3+ 33: End terminus TRP-20: COO- 33: Checking for duplicate atoms.... 33: Generating any missing hydrogen atoms and/or adding termini. 33: Now there are 3 residues with 57 atoms 33: Chain time... 33: Including chain 1 in system: 36 atoms 3 residues 33: Including chain 2 in system: 57 atoms 3 residues 33: --------- PLEASE NOTE ------------ 33: You have successfully generated a topology from: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tests/two-fragments.pdb. 33: The Charmm27 force field and the tip3p water model are used. 33: --------- ETON ESAELP ------------ 33: [ OK ] ChainChanges/Pdb2gmxTest.ProducesMatchingTopology/3 (51 ms) 33: [----------] 4 tests from ChainChanges/Pdb2gmxTest (404 ms total) 33: 33: [----------] Global test environment tear-down 33: [==========] 28 tests from 4 test cases ran. (4298 ms total) 33: [ PASSED ] 28 tests. 33/54 Test #33: Pdb2gmx3Test ........................ Passed 4.31 sec test 34 Start 34: CorrelationsTest 34: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/correlations-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/CorrelationsTest.xml" 34: Test timeout computed to be: 30 34: [==========] Running 21 tests from 3 test cases. 34: [----------] Global test environment set-up. 34: [----------] 10 tests from AutocorrTest 34: [ RUN ] AutocorrTest.EacNormal 34: [ OK ] AutocorrTest.EacNormal (200 ms) 34: [ RUN ] AutocorrTest.EacNoNormalize 34: [ OK ] AutocorrTest.EacNoNormalize (205 ms) 34: [ RUN ] AutocorrTest.EacCos 34: [ OK ] AutocorrTest.EacCos (404 ms) 34: [ RUN ] AutocorrTest.EacVector 34: [ OK ] AutocorrTest.EacVector (700 ms) 34: [ RUN ] AutocorrTest.EacRcross 34: [ OK ] AutocorrTest.EacRcross (8 ms) 34: [ RUN ] AutocorrTest.EacP0 34: [ OK ] AutocorrTest.EacP0 (594 ms) 34: [ RUN ] AutocorrTest.EacP1 34: [ OK ] AutocorrTest.EacP1 (614 ms) 34: [ RUN ] AutocorrTest.EacP2 34: [ OK ] AutocorrTest.EacP2 (1388 ms) 34: [ RUN ] AutocorrTest.EacP3 34: [ OK ] AutocorrTest.EacP3 (93 ms) 34: [ RUN ] AutocorrTest.EacP4 34: [ OK ] AutocorrTest.EacP4 (710 ms) 34: [----------] 10 tests from AutocorrTest (5005 ms total) 34: 34: [----------] 1 test from ManyAutocorrelationTest 34: [ RUN ] ManyAutocorrelationTest.Empty 34: [ OK ] ManyAutocorrelationTest.Empty (1 ms) 34: [----------] 1 test from ManyAutocorrelationTest (1 ms total) 34: 34: [----------] 10 tests from ExpfitTest 34: [ RUN ] ExpfitTest.EffnEXP1 34: [ OK ] ExpfitTest.EffnEXP1 (1 ms) 34: [ RUN ] ExpfitTest.EffnEXP2 34: [ OK ] ExpfitTest.EffnEXP2 (1 ms) 34: [ RUN ] ExpfitTest.EffnEXPEXP 34: [ OK ] ExpfitTest.EffnEXPEXP (2 ms) 34: [ RUN ] ExpfitTest.EffnEXP5 34: [ OK ] ExpfitTest.EffnEXP5 (5 ms) 34: [ RUN ] ExpfitTest.EffnEXP7 34: [ OK ] ExpfitTest.EffnEXP7 (5 ms) 34: [ RUN ] ExpfitTest.EffnEXP9 34: [ OK ] ExpfitTest.EffnEXP9 (22 ms) 34: [ RUN ] ExpfitTest.EffnERF 34: [ OK ] ExpfitTest.EffnERF (3 ms) 34: [ RUN ] ExpfitTest.EffnERREST 34: [ OK ] ExpfitTest.EffnERREST (1 ms) 34: [ RUN ] ExpfitTest.EffnVAC 34: [ OK ] ExpfitTest.EffnVAC (7 ms) 34: [ RUN ] ExpfitTest.EffnPRES 34: [ OK ] ExpfitTest.EffnPRES (47 ms) 34: [----------] 10 tests from ExpfitTest (95 ms total) 34: 34: [----------] Global test environment tear-down 34: [==========] 21 tests from 3 test cases ran. (5207 ms total) 34: [ PASSED ] 21 tests. 34/54 Test #34: CorrelationsTest .................... Passed 5.25 sec test 35 Start 35: AnalysisDataUnitTests 35: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/analysisdata-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/AnalysisDataUnitTests.xml" 35: Test timeout computed to be: 30 35: [==========] Running 69 tests from 14 test cases. 35: [----------] Global test environment set-up. 35: [----------] 3 tests from AnalysisDataInitializationTest 35: [ RUN ] AnalysisDataInitializationTest.BasicInitialization 35: [ OK ] AnalysisDataInitializationTest.BasicInitialization (0 ms) 35: [ RUN ] AnalysisDataInitializationTest.ChecksMultiColumnModules 35: [ OK ] AnalysisDataInitializationTest.ChecksMultiColumnModules (0 ms) 35: [ RUN ] AnalysisDataInitializationTest.ChecksMultipointModules 35: [ OK ] AnalysisDataInitializationTest.ChecksMultipointModules (0 ms) 35: [----------] 3 tests from AnalysisDataInitializationTest (0 ms total) 35: 35: [----------] 8 tests from AnalysisDataCommonTest/0, where TypeParam = (anonymous namespace)::SimpleInputData 35: [ RUN ] AnalysisDataCommonTest/0.CallsModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/0.CallsModuleCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/0.CallsParallelModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/0.CallsParallelModuleCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/0.CallsMixedModulesCorrectly 35: [ OK ] AnalysisDataCommonTest/0.CallsMixedModulesCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/0.CallsColumnModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/0.CallsColumnModuleCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/0.CallsModuleCorrectlyWithOutOfOrderFrames 35: [ OK ] AnalysisDataCommonTest/0.CallsModuleCorrectlyWithOutOfOrderFrames (1 ms) 35: [ RUN ] AnalysisDataCommonTest/0.FullStorageWorks 35: [ OK ] AnalysisDataCommonTest/0.FullStorageWorks (0 ms) 35: [ RUN ] AnalysisDataCommonTest/0.CanAddModuleAfterStoredData 35: [ OK ] AnalysisDataCommonTest/0.CanAddModuleAfterStoredData (0 ms) 35: [ RUN ] AnalysisDataCommonTest/0.LimitedStorageWorks 35: [ OK ] AnalysisDataCommonTest/0.LimitedStorageWorks (1 ms) 35: [----------] 8 tests from AnalysisDataCommonTest/0 (3 ms total) 35: 35: [----------] 8 tests from AnalysisDataCommonTest/1, where TypeParam = (anonymous namespace)::DataSetsInputData 35: [ RUN ] AnalysisDataCommonTest/1.CallsModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/1.CallsModuleCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/1.CallsParallelModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/1.CallsParallelModuleCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/1.CallsMixedModulesCorrectly 35: [ OK ] AnalysisDataCommonTest/1.CallsMixedModulesCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/1.CallsColumnModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/1.CallsColumnModuleCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/1.CallsModuleCorrectlyWithOutOfOrderFrames 35: [ OK ] AnalysisDataCommonTest/1.CallsModuleCorrectlyWithOutOfOrderFrames (1 ms) 35: [ RUN ] AnalysisDataCommonTest/1.FullStorageWorks 35: [ OK ] AnalysisDataCommonTest/1.FullStorageWorks (0 ms) 35: [ RUN ] AnalysisDataCommonTest/1.CanAddModuleAfterStoredData 35: [ OK ] AnalysisDataCommonTest/1.CanAddModuleAfterStoredData (0 ms) 35: [ RUN ] AnalysisDataCommonTest/1.LimitedStorageWorks 35: [ OK ] AnalysisDataCommonTest/1.LimitedStorageWorks (1 ms) 35: [----------] 8 tests from AnalysisDataCommonTest/1 (3 ms total) 35: 35: [----------] 8 tests from AnalysisDataCommonTest/2, where TypeParam = (anonymous namespace)::MultipointInputData 35: [ RUN ] AnalysisDataCommonTest/2.CallsModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/2.CallsModuleCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/2.CallsParallelModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/2.CallsParallelModuleCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/2.CallsMixedModulesCorrectly 35: [ OK ] AnalysisDataCommonTest/2.CallsMixedModulesCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/2.CallsColumnModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/2.CallsColumnModuleCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/2.CallsModuleCorrectlyWithOutOfOrderFrames 35: [ OK ] AnalysisDataCommonTest/2.CallsModuleCorrectlyWithOutOfOrderFrames (1 ms) 35: [ RUN ] AnalysisDataCommonTest/2.FullStorageWorks 35: [ OK ] AnalysisDataCommonTest/2.FullStorageWorks (0 ms) 35: [ RUN ] AnalysisDataCommonTest/2.CanAddModuleAfterStoredData 35: [ OK ] AnalysisDataCommonTest/2.CanAddModuleAfterStoredData (0 ms) 35: [ RUN ] AnalysisDataCommonTest/2.LimitedStorageWorks 35: [ OK ] AnalysisDataCommonTest/2.LimitedStorageWorks (0 ms) 35: [----------] 8 tests from AnalysisDataCommonTest/2 (3 ms total) 35: 35: [----------] 8 tests from AnalysisDataCommonTest/3, where TypeParam = (anonymous namespace)::MultipointDataSetsInputData 35: [ RUN ] AnalysisDataCommonTest/3.CallsModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/3.CallsModuleCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/3.CallsParallelModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/3.CallsParallelModuleCorrectly (0 ms) 35: [ RUN ] AnalysisDataCommonTest/3.CallsMixedModulesCorrectly 35: [ OK ] AnalysisDataCommonTest/3.CallsMixedModulesCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/3.CallsColumnModuleCorrectly 35: [ OK ] AnalysisDataCommonTest/3.CallsColumnModuleCorrectly (1 ms) 35: [ RUN ] AnalysisDataCommonTest/3.CallsModuleCorrectlyWithOutOfOrderFrames 35: [ OK ] AnalysisDataCommonTest/3.CallsModuleCorrectlyWithOutOfOrderFrames (1 ms) 35: [ RUN ] AnalysisDataCommonTest/3.FullStorageWorks 35: [ OK ] AnalysisDataCommonTest/3.FullStorageWorks (0 ms) 35: [ RUN ] AnalysisDataCommonTest/3.CanAddModuleAfterStoredData 35: [ OK ] AnalysisDataCommonTest/3.CanAddModuleAfterStoredData (1 ms) 35: [ RUN ] AnalysisDataCommonTest/3.LimitedStorageWorks 35: [ OK ] AnalysisDataCommonTest/3.LimitedStorageWorks (0 ms) 35: [----------] 8 tests from AnalysisDataCommonTest/3 (5 ms total) 35: 35: [----------] 4 tests from AnalysisArrayDataTest 35: [ RUN ] AnalysisArrayDataTest.CallsModuleCorrectly 35: [ OK ] AnalysisArrayDataTest.CallsModuleCorrectly (1 ms) 35: [ RUN ] AnalysisArrayDataTest.StorageWorks 35: [ OK ] AnalysisArrayDataTest.StorageWorks (0 ms) 35: [ RUN ] AnalysisArrayDataTest.CanSetXAxis 35: [ OK ] AnalysisArrayDataTest.CanSetXAxis (0 ms) 35: [ RUN ] AnalysisArrayDataTest.CanSetXAxisBeforeRowCount 35: [ OK ] AnalysisArrayDataTest.CanSetXAxisBeforeRowCount (0 ms) 35: [----------] 4 tests from AnalysisArrayDataTest (1 ms total) 35: 35: [----------] 6 tests from AverageModuleTest 35: [ RUN ] AverageModuleTest.BasicTest 35: [ OK ] AverageModuleTest.BasicTest (1 ms) 35: [ RUN ] AverageModuleTest.HandlesMultipointData 35: [ OK ] AverageModuleTest.HandlesMultipointData (0 ms) 35: [ RUN ] AverageModuleTest.HandlesMultipleDataSets 35: [ OK ] AverageModuleTest.HandlesMultipleDataSets (1 ms) 35: [ RUN ] AverageModuleTest.HandlesDataSetAveraging 35: [ OK ] AverageModuleTest.HandlesDataSetAveraging (1 ms) 35: [ RUN ] AverageModuleTest.CanCustomizeXAxis 35: [ OK ] AverageModuleTest.CanCustomizeXAxis (1 ms) 35: [ RUN ] AverageModuleTest.CanCustomizeNonUniformXAxis 35: [ OK ] AverageModuleTest.CanCustomizeNonUniformXAxis (0 ms) 35: [----------] 6 tests from AverageModuleTest (4 ms total) 35: 35: [----------] 2 tests from FrameAverageModuleTest 35: [ RUN ] FrameAverageModuleTest.BasicTest 35: [ OK ] FrameAverageModuleTest.BasicTest (1 ms) 35: [ RUN ] FrameAverageModuleTest.HandlesMultipleDataSets 35: [ OK ] FrameAverageModuleTest.HandlesMultipleDataSets (1 ms) 35: [----------] 2 tests from FrameAverageModuleTest (2 ms total) 35: 35: [----------] 7 tests from AnalysisHistogramSettingsTest 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromBins 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromBins (0 ms) 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromBinsWithIntegerBins 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromBinsWithIntegerBins (0 ms) 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinCount 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinCount (0 ms) 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinWidth 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinWidth (0 ms) 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinCountAndIntegerBins 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinCountAndIntegerBins (0 ms) 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinWidthAndIntegerBins 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromRangeWithBinWidthAndIntegerBins (0 ms) 35: [ RUN ] AnalysisHistogramSettingsTest.InitializesFromRangeWithRoundedRange 35: [ OK ] AnalysisHistogramSettingsTest.InitializesFromRangeWithRoundedRange (0 ms) 35: [----------] 7 tests from AnalysisHistogramSettingsTest (0 ms total) 35: 35: [----------] 2 tests from SimpleHistogramModuleTest 35: [ RUN ] SimpleHistogramModuleTest.ComputesCorrectly 35: [ OK ] SimpleHistogramModuleTest.ComputesCorrectly (0 ms) 35: [ RUN ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll 35: [ OK ] SimpleHistogramModuleTest.ComputesCorrectlyWithAll (1 ms) 35: [----------] 2 tests from SimpleHistogramModuleTest (1 ms total) 35: 35: [----------] 3 tests from WeightedHistogramModuleTest 35: [ RUN ] WeightedHistogramModuleTest.ComputesCorrectly 35: [ OK ] WeightedHistogramModuleTest.ComputesCorrectly (1 ms) 35: [ RUN ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll 35: [ OK ] WeightedHistogramModuleTest.ComputesCorrectlyWithAll (1 ms) 35: [ RUN ] WeightedHistogramModuleTest.HandlesMultipleDataSets 35: [ OK ] WeightedHistogramModuleTest.HandlesMultipleDataSets (1 ms) 35: [----------] 3 tests from WeightedHistogramModuleTest (3 ms total) 35: 35: [----------] 3 tests from BinAverageModuleTest 35: [ RUN ] BinAverageModuleTest.ComputesCorrectly 35: [ OK ] BinAverageModuleTest.ComputesCorrectly (6 ms) 35: [ RUN ] BinAverageModuleTest.ComputesCorrectlyWithAll 35: [ OK ] BinAverageModuleTest.ComputesCorrectlyWithAll (9 ms) 35: [ RUN ] BinAverageModuleTest.HandlesMultipleDataSets 35: [ OK ] BinAverageModuleTest.HandlesMultipleDataSets (1 ms) 35: [----------] 3 tests from BinAverageModuleTest (17 ms total) 35: 35: [----------] 4 tests from AbstractAverageHistogramTest 35: [ RUN ] AbstractAverageHistogramTest.ClonesCorrectly 35: [ OK ] AbstractAverageHistogramTest.ClonesCorrectly (1 ms) 35: [ RUN ] AbstractAverageHistogramTest.ComputesCumulativeHistogram 35: [ OK ] AbstractAverageHistogramTest.ComputesCumulativeHistogram (1 ms) 35: [ RUN ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth 35: [ OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidth (0 ms) 35: [ RUN ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins 35: [ OK ] AbstractAverageHistogramTest.ResamplesAtDoubleBinWidthWithIntegerBins (1 ms) 35: [----------] 4 tests from AbstractAverageHistogramTest (3 ms total) 35: 35: [----------] 3 tests from LifetimeModuleTest 35: [ RUN ] LifetimeModuleTest.BasicTest 35: [ OK ] LifetimeModuleTest.BasicTest (1 ms) 35: [ RUN ] LifetimeModuleTest.CumulativeTest 35: [ OK ] LifetimeModuleTest.CumulativeTest (0 ms) 35: [ RUN ] LifetimeModuleTest.HandlesMultipleDataSets 35: [ OK ] LifetimeModuleTest.HandlesMultipleDataSets (0 ms) 35: [----------] 3 tests from LifetimeModuleTest (2 ms total) 35: 35: [----------] Global test environment tear-down 35: [==========] 69 tests from 14 test cases ran. (47 ms total) 35: [ PASSED ] 69 tests. 35/54 Test #35: AnalysisDataUnitTests ............... Passed 0.07 sec test 36 Start 36: CoordinateIOTests 36: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/coordinateio-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/CoordinateIOTests.xml" 36: Test timeout computed to be: 30 36: [==========] Running 64 tests from 19 test cases. 36: [----------] Global test environment set-up. 36: [----------] 1 test from OutputSelectorDeathTest 36: [ RUN ] OutputSelectorDeathTest.RejectsBadSelection 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] OutputSelectorDeathTest.RejectsBadSelection (10 ms) 36: [----------] 1 test from OutputSelectorDeathTest (10 ms total) 36: 36: [----------] 5 tests from TrajectoryFrameWriterTest 36: [ RUN ] TrajectoryFrameWriterTest.RejectsWrongFiletype 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] TrajectoryFrameWriterTest.RejectsWrongFiletype (6 ms) 36: [ RUN ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] TrajectoryFrameWriterTest.BuilderFailsWithPdbAndNoAtoms (6 ms) 36: [ RUN ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] TrajectoryFrameWriterTest.BuilderFailsWithGroAndNoAtoms (5 ms) 36: [ RUN ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] TrajectoryFrameWriterTest.BuilderImplictlyAddsAtoms (11 ms) 36: [ RUN ] TrajectoryFrameWriterTest.TNGOutputWorks 36: [ OK ] TrajectoryFrameWriterTest.TNGOutputWorks (0 ms) 36: [----------] 5 tests from TrajectoryFrameWriterTest (28 ms total) 36: 36: [----------] 5 tests from OutputAdapterContainer 36: [ RUN ] OutputAdapterContainer.MakeEmpty 36: [ OK ] OutputAdapterContainer.MakeEmpty (0 ms) 36: [ RUN ] OutputAdapterContainer.AddAdapter 36: [ OK ] OutputAdapterContainer.AddAdapter (0 ms) 36: [ RUN ] OutputAdapterContainer.RejectBadAdapter 36: [ OK ] OutputAdapterContainer.RejectBadAdapter (0 ms) 36: [ RUN ] OutputAdapterContainer.RejectDuplicateAdapter 36: [ OK ] OutputAdapterContainer.RejectDuplicateAdapter (0 ms) 36: [ RUN ] OutputAdapterContainer.AcceptMultipleAdapters 36: [ OK ] OutputAdapterContainer.AcceptMultipleAdapters (0 ms) 36: [----------] 5 tests from OutputAdapterContainer (0 ms total) 36: 36: [----------] 5 tests from FlagTest 36: [ RUN ] FlagTest.CanSetSimpleFlag 36: [ OK ] FlagTest.CanSetSimpleFlag (0 ms) 36: [ RUN ] FlagTest.CanAddNewBox 36: [ OK ] FlagTest.CanAddNewBox (0 ms) 36: [ RUN ] FlagTest.SetsImplicitPrecisionChange 36: [ OK ] FlagTest.SetsImplicitPrecisionChange (0 ms) 36: [ RUN ] FlagTest.SetsImplicitStartTimeChange 36: [ OK ] FlagTest.SetsImplicitStartTimeChange (0 ms) 36: [ RUN ] FlagTest.SetsImplicitTimeStepChange 36: [ OK ] FlagTest.SetsImplicitTimeStepChange (0 ms) 36: [----------] 5 tests from FlagTest (0 ms total) 36: 36: [----------] 5 tests from SetAtomsTest 36: [ RUN ] SetAtomsTest.RemovesExistingAtoms 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] SetAtomsTest.RemovesExistingAtoms (6 ms) 36: [ RUN ] SetAtomsTest.AddsNewAtoms 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] SetAtomsTest.AddsNewAtoms (6 ms) 36: [ RUN ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] SetAtomsTest.ThrowsOnRequiredAtomsNotAvailable (5 ms) 36: [ RUN ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] SetAtomsTest.WillUseOldAtomsWhenNoNewAvailable (5 ms) 36: [ RUN ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] SetAtomsTest.ThrowsWhenUserAtomReplacementNotPossible (25 ms) 36: [----------] 5 tests from SetAtomsTest (47 ms total) 36: 36: [----------] 2 tests from SetBothTimeTest 36: [ RUN ] SetBothTimeTest.StartTimeZeroWorks 36: [ OK ] SetBothTimeTest.StartTimeZeroWorks (0 ms) 36: [ RUN ] SetBothTimeTest.SetStartTimeNonZeroWorks 36: [ OK ] SetBothTimeTest.SetStartTimeNonZeroWorks (0 ms) 36: [----------] 2 tests from SetBothTimeTest (0 ms total) 36: 36: [----------] 2 tests from SetStartTimeTest 36: [ RUN ] SetStartTimeTest.WorksWithNonZeroStart 36: [ OK ] SetStartTimeTest.WorksWithNonZeroStart (0 ms) 36: [ RUN ] SetStartTimeTest.WorksWithZeroStart 36: [ OK ] SetStartTimeTest.WorksWithZeroStart (0 ms) 36: [----------] 2 tests from SetStartTimeTest (0 ms total) 36: 36: [----------] 1 test from SetTimeStepTest 36: [ RUN ] SetTimeStepTest.SetTimeStepWorks 36: [ OK ] SetTimeStepTest.SetTimeStepWorks (0 ms) 36: [----------] 1 test from SetTimeStepTest (0 ms total) 36: 36: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest 36: [ RUN ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/0 (5 ms) 36: [ RUN ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/1 (3 ms) 36: [ RUN ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/2 (3 ms) 36: [ RUN ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/3 (4 ms) 36: [ RUN ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/4 (3 ms) 36: [ RUN ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] CoordinateFileFileFormats/TrajectoryFrameWriterTest.WorksWithFormats/5 (3 ms) 36: [----------] 6 tests from CoordinateFileFileFormats/TrajectoryFrameWriterTest (21 ms total) 36: 36: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles 36: [ RUN ] ModuleSupported/SetAtomsSupportedFiles.Works/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetAtomsSupportedFiles.Works/0 (4 ms) 36: [ RUN ] ModuleSupported/SetAtomsSupportedFiles.Works/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetAtomsSupportedFiles.Works/1 (3 ms) 36: [ RUN ] ModuleSupported/SetAtomsSupportedFiles.Works/2 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetAtomsSupportedFiles.Works/2 (3 ms) 36: [----------] 3 tests from ModuleSupported/SetAtomsSupportedFiles (10 ms total) 36: 36: [----------] 3 tests from ModuleUnSupported/SetAtomsUnSupportedFiles 36: [ RUN ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/0 36: [ OK ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/0 (0 ms) 36: [ RUN ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/1 36: [ OK ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/1 (0 ms) 36: [ RUN ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/2 36: [ OK ] ModuleUnSupported/SetAtomsUnSupportedFiles.Works/2 (1 ms) 36: [----------] 3 tests from ModuleUnSupported/SetAtomsUnSupportedFiles (1 ms total) 36: 36: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles 36: [ RUN ] ModuleSupported/AnyOutputSupportedFiles.Works/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/AnyOutputSupportedFiles.Works/0 (7 ms) 36: [ RUN ] ModuleSupported/AnyOutputSupportedFiles.Works/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/AnyOutputSupportedFiles.Works/1 (11 ms) 36: [ RUN ] ModuleSupported/AnyOutputSupportedFiles.Works/2 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/AnyOutputSupportedFiles.Works/2 (12 ms) 36: [ RUN ] ModuleSupported/AnyOutputSupportedFiles.Works/3 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/AnyOutputSupportedFiles.Works/3 (34 ms) 36: [----------] 4 tests from ModuleSupported/AnyOutputSupportedFiles (64 ms total) 36: 36: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles 36: [ RUN ] ModuleSupported/SetVelocitySupportedFiles.Works/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetVelocitySupportedFiles.Works/0 (8 ms) 36: [ RUN ] ModuleSupported/SetVelocitySupportedFiles.Works/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetVelocitySupportedFiles.Works/1 (5 ms) 36: [ RUN ] ModuleSupported/SetVelocitySupportedFiles.Works/2 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetVelocitySupportedFiles.Works/2 (4 ms) 36: [----------] 3 tests from ModuleSupported/SetVelocitySupportedFiles (17 ms total) 36: 36: [----------] 3 tests from ModuleUnSupported/SetVelocityUnSupportedFiles 36: [ RUN ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/0 36: [ OK ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/0 (1 ms) 36: [ RUN ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/1 36: [ OK ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/1 (0 ms) 36: [ RUN ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/2 36: [ OK ] ModuleUnSupported/SetVelocityUnSupportedFiles.Works/2 (0 ms) 36: [----------] 3 tests from ModuleUnSupported/SetVelocityUnSupportedFiles (1 ms total) 36: 36: [----------] 2 tests from ModuleSupported/SetForceSupportedFiles 36: [ RUN ] ModuleSupported/SetForceSupportedFiles.Works/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetForceSupportedFiles.Works/0 (4 ms) 36: [ RUN ] ModuleSupported/SetForceSupportedFiles.Works/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetForceSupportedFiles.Works/1 (5 ms) 36: [----------] 2 tests from ModuleSupported/SetForceSupportedFiles (9 ms total) 36: 36: [----------] 4 tests from ModuleUnSupported/SetForceUnSupportedFiles 36: [ RUN ] ModuleUnSupported/SetForceUnSupportedFiles.Works/0 36: [ OK ] ModuleUnSupported/SetForceUnSupportedFiles.Works/0 (0 ms) 36: [ RUN ] ModuleUnSupported/SetForceUnSupportedFiles.Works/1 36: [ OK ] ModuleUnSupported/SetForceUnSupportedFiles.Works/1 (0 ms) 36: [ RUN ] ModuleUnSupported/SetForceUnSupportedFiles.Works/2 36: [ OK ] ModuleUnSupported/SetForceUnSupportedFiles.Works/2 (0 ms) 36: [ RUN ] ModuleUnSupported/SetForceUnSupportedFiles.Works/3 36: [ OK ] ModuleUnSupported/SetForceUnSupportedFiles.Works/3 (0 ms) 36: [----------] 4 tests from ModuleUnSupported/SetForceUnSupportedFiles (0 ms total) 36: 36: [----------] 2 tests from ModuleSupported/SetPrecisionSupportedFiles 36: [ RUN ] ModuleSupported/SetPrecisionSupportedFiles.Works/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/0 (4 ms) 36: [ RUN ] ModuleSupported/SetPrecisionSupportedFiles.Works/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/SetPrecisionSupportedFiles.Works/1 (5 ms) 36: [----------] 2 tests from ModuleSupported/SetPrecisionSupportedFiles (9 ms total) 36: 36: [----------] 4 tests from ModuleUnSupported/SetPrecisionUnSupportedFiles 36: [ RUN ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/0 36: [ OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/0 (0 ms) 36: [ RUN ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/1 36: [ OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/1 (0 ms) 36: [ RUN ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/2 36: [ OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/2 (0 ms) 36: [ RUN ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/3 36: [ OK ] ModuleUnSupported/SetPrecisionUnSupportedFiles.Works/3 (0 ms) 36: [----------] 4 tests from ModuleUnSupported/SetPrecisionUnSupportedFiles (0 ms total) 36: 36: [----------] 4 tests from ModuleSupported/NoOptionalOutput 36: [ RUN ] ModuleSupported/NoOptionalOutput.Works/0 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/NoOptionalOutput.Works/0 (4 ms) 36: [ RUN ] ModuleSupported/NoOptionalOutput.Works/1 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/NoOptionalOutput.Works/1 (4 ms) 36: [ RUN ] ModuleSupported/NoOptionalOutput.Works/2 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/NoOptionalOutput.Works/2 (5 ms) 36: [ RUN ] ModuleSupported/NoOptionalOutput.Works/3 36: 36: WARNING: Masses and atomic (Van der Waals) radii will be guessed 36: based on residue and atom names, since they could not be 36: definitively assigned from the information in your input 36: files. These guessed numbers might deviate from the mass 36: and radius of the atom type. Please check the output 36: files if necessary. 36: 36: [ OK ] ModuleSupported/NoOptionalOutput.Works/3 (4 ms) 36: [----------] 4 tests from ModuleSupported/NoOptionalOutput (17 ms total) 36: 36: [----------] Global test environment tear-down 36: [==========] 64 tests from 19 test cases ran. (235 ms total) 36: [ PASSED ] 64 tests. 36/54 Test #36: CoordinateIOTests ................... Passed 0.30 sec test 37 Start 37: TrajectoryAnalysisUnitTests 37: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/trajectoryanalysis-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/TrajectoryAnalysisUnitTests.xml" 37: Test timeout computed to be: 30 37: [==========] Running 82 tests from 16 test cases. 37: [----------] Global test environment set-up. 37: [----------] 5 tests from ClustsizeTest 37: [ RUN ] ClustsizeTest.NoMolDefaultCutoff 37: Reading frames from pdb file Reading frame 0 time 0.000 Group 0 ( SOL) has 24 elements 37: There is one group in the index 37: '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Total number of atoms in clusters = 24 37: cmid: 2, cmax: 4, max_size: 6 37: 16% 33% 50% 66% 83%100%cmid: 6, cmax: 18, max_size: 6 37: 16% 33% 50% 66% 83%100%[ OK ] ClustsizeTest.NoMolDefaultCutoff (180 ms) 37: [ RUN ] ClustsizeTest.NoMolShortCutoff 37: Reading frames from pdb file Reading frame 0 time 0.000 Group 0 ( SOL) has 24 elements 37: There is one group in the index 37: '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Total number of atoms in clusters = 24 37: cmid: 1, cmax: 6, max_size: 6 37: 16% 33% 50% 66% 83%100%cmid: 6, cmax: 18, max_size: 6 37: 16% 33% 50% 66% 83%100%[ OK ] ClustsizeTest.NoMolShortCutoff (3 ms) 37: [ RUN ] ClustsizeTest.MolDefaultCutoff 37: Reading frames from pdb file Reading frame 0 time 0.000 Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Total number of atoms in clusters = 8 37: cmid: 2, cmax: 4, max_size: 2 37: 50%100%cmid: 2, cmax: 6, max_size: 2 37: 50%100%[ OK ] ClustsizeTest.MolDefaultCutoff (3 ms) 37: [ RUN ] ClustsizeTest.MolShortCutoff 37: Reading frames from pdb file Reading frame 0 time 0.000 Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Total number of atoms in clusters = 8 37: cmid: 1, cmax: 6, max_size: 2 37: 50%100%cmid: 2, cmax: 6, max_size: 2 37: 50%100%[ OK ] ClustsizeTest.MolShortCutoff (2 ms) 37: [ RUN ] ClustsizeTest.MolCSize 37: Reading frames from pdb file Reading frame 0 time 0.000 Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Total number of atoms in clusters = 8 37: cmid: 2, cmax: 4, max_size: 2 37: 50%100%cmid: 2, cmax: 6, max_size: 2 37: 50%100%[ OK ] ClustsizeTest.MolCSize (2 ms) 37: [----------] 5 tests from ClustsizeTest (190 ms total) 37: 37: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest 37: [ RUN ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp 37: [ OK ] TrajectoryAnalysisCommandLineRunnerTest.WritesHelp (1 ms) 37: [ RUN ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory 37: Reading frames from gro file 'Test system', 8 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TrajectoryAnalysisCommandLineRunnerTest.RunsWithSubsetTrajectory (2 ms) 37: [ RUN ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset 37: Reading frames from gro file 'Test system', 8 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TrajectoryAnalysisCommandLineRunnerTest.DetectsIncorrectTrajectorySubset (2 ms) 37: [ RUN ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory 37: [ OK ] TrajectoryAnalysisCommandLineRunnerTest.FailsWithTrajectorySubsetWithoutTrajectory (1 ms) 37: [----------] 4 tests from TrajectoryAnalysisCommandLineRunnerTest (6 ms total) 37: 37: [----------] 11 tests from AngleModuleTest 37: [ RUN ] AngleModuleTest.ComputesSimpleAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesSimpleAngles (2 ms) 37: [ RUN ] AngleModuleTest.ComputesDihedrals 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesDihedrals (3 ms) 37: [ RUN ] AngleModuleTest.ComputesVectorPairAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesVectorPairAngles (3 ms) 37: [ RUN ] AngleModuleTest.ComputesVectorPlanePairAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesVectorPlanePairAngles (2 ms) 37: [ RUN ] AngleModuleTest.ComputesPlaneZAxisAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesPlaneZAxisAngles (3 ms) 37: [ RUN ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesVectorSphereNormalZAxisAngles (8 ms) 37: [ RUN ] AngleModuleTest.ComputesVectorTimeZeroAngles 37: Reading frames from gro file 'Test system for different angles', 33 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesVectorTimeZeroAngles (66 ms) 37: [ RUN ] AngleModuleTest.ComputesMultipleAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.ComputesMultipleAngles (14 ms) 37: [ RUN ] AngleModuleTest.HandlesDynamicSelections 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.HandlesDynamicSelections (7 ms) 37: [ RUN ] AngleModuleTest.HandlesOneVsMultipleVectorAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.HandlesOneVsMultipleVectorAngles (5 ms) 37: [ RUN ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] AngleModuleTest.HandlesOneVsMultipleVectorGroupsAngles (6 ms) 37: [----------] 11 tests from AngleModuleTest (119 ms total) 37: 37: [----------] 4 tests from ConvertTrjModuleTest 37: [ RUN ] ConvertTrjModuleTest.WritesNormalOutput 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: Reading frame 0 time 0.000 Last frame 0 time 0.000 37: Analyzed 1 frames, last time 0.000 37: [ OK ] ConvertTrjModuleTest.WritesNormalOutput (269 ms) 37: [ RUN ] ConvertTrjModuleTest.WritesAtomSubset 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: Reading frame 0 time 0.000 Last frame 0 time 0.000 37: Analyzed 1 frames, last time 0.000 37: [ OK ] ConvertTrjModuleTest.WritesAtomSubset (9 ms) 37: [ RUN ] ConvertTrjModuleTest.WorksWithAtomAdding 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading frames from pdb file Reading frame 0 time 0.000 '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: [ OK ] ConvertTrjModuleTest.WorksWithAtomAdding (2 ms) 37: [ RUN ] ConvertTrjModuleTest.WorksWithAtomsAndSelection 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/clustsize.tpr, VERSION 2016 (single precision) 37: Reading frames from pdb file Reading frame 0 time 0.000 '', 24 atoms 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: [ OK ] ConvertTrjModuleTest.WorksWithAtomsAndSelection (1 ms) 37: [----------] 4 tests from ConvertTrjModuleTest (281 ms total) 37: 37: [----------] 3 tests from DistanceModuleTest 37: [ RUN ] DistanceModuleTest.ComputesDistances 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: atomname S1 S2: 37: Number of samples: 5 37: Average distance: 1.43246 nm 37: Standard deviation: 0.96700 nm 37: [ OK ] DistanceModuleTest.ComputesDistances (3 ms) 37: [ RUN ] DistanceModuleTest.ComputesMultipleDistances 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: atomname S1 S2: 37: Number of samples: 5 37: Average distance: 1.43246 nm 37: Standard deviation: 0.96700 nm 37: resindex 1 to 4 and atomname CB merge resindex 2 to 5 and atomname CB: 37: Number of samples: 4 37: Average distance: 1.81066 nm 37: Standard deviation: 0.79289 nm 37: [ OK ] DistanceModuleTest.ComputesMultipleDistances (3 ms) 37: [ RUN ] DistanceModuleTest.HandlesDynamicSelections 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: atomname S1 S2 and res_cog x < 2.8: 37: Number of samples: 3 37: Average distance: 1.72076 nm 37: Standard deviation: 1.24839 nm 37: [ OK ] DistanceModuleTest.HandlesDynamicSelections (3 ms) 37: [----------] 3 tests from DistanceModuleTest (9 ms total) 37: 37: [----------] 2 tests from ExtractClusterModuleTest 37: [ RUN ] ExtractClusterModuleTest.WorksWithAllAtoms 37: trr version: GMX_trn_file (single precision) 37: Reading frame 0 time 0.000 Reading frame 1 time 0.002 Reading frame 2 time 0.004 Reading frame 3 time 0.006 Reading frame 4 time 0.008 Reading frame 5 time 0.010 Reading frame 6 time 0.012 Reading frame 7 time 0.014 Reading frame 8 time 0.016 Reading frame 9 time 0.018 Reading frame 10 time 0.020 Reading frame 11 time 0.022 Reading frame 12 time 0.024 Reading frame 13 time 0.026 Reading frame 14 time 0.028 Reading frame 15 time 0.030 Reading frame 16 time 0.032 Reading frame 17 time 0.034 Reading frame 18 time 0.036 Reading frame 19 time 0.038 Reading frame 20 time 0.040 37: Analyzed 26 frames, last time 0.050 37: There are 8 clusters containing 26 structures, highest framenr is 25 37: [ OK ] ExtractClusterModuleTest.WorksWithAllAtoms (3 ms) 37: [ RUN ] ExtractClusterModuleTest.WorksWithAtomSubset 37: Reading frame 0 time 0.000 Reading frame 1 time 0.002 Reading frame 2 time 0.004 Reading frame 3 time 0.006 Reading frame 4 time 0.008 Reading frame 5 time 0.010 Reading frame 6 time 0.012 Reading frame 7 time 0.014 Reading frame 8 time 0.016 Reading frame 9 time 0.018 Reading frame 10 time 0.020 Reading frame 11 time 0.022 Reading frame 12 time 0.024 Reading frame 13 time 0.026 Reading frame 14 time 0.028 Reading frame 15 time 0.030 Reading frame 16 time 0.032 Reading frame 17 time 0.034 Reading frame 18 time 0.036 Reading frame 19 time 0.038 Reading frame 20 time 0.040 37: Analyzed 26 frames, last time 0.050 37: There are 8 clusters containing 26 structures, highest framenr is 25 37: [ OK ] ExtractClusterModuleTest.WorksWithAtomSubset (2 ms) 37: [----------] 2 tests from ExtractClusterModuleTest (5 ms total) 37: 37: [----------] 2 tests from FreeVolumeModuleTest 37: [ RUN ] FreeVolumeModuleTest.ComputesFreeVolume 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for CO2-RM. Set to zero. 37: Could not determine VDW radius for 40 particles. These were set to zero. 37: Reading frame 0 time 0.000 Last frame 0 time 0.000 37: Analyzed 1 frames, last time 0.000 37: cutoff = 0.18 nm 37: probe_radius = 0 nm 37: seed = 13 37: ninsert = 1000 probes per nm^3 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Tuanan C. Lourenco and Mariny F. C. Coelho and Teodorico C. Ramalho and David 37: van der Spoel and Luciano T. Costa 37: Insights on the Solubility of CO2 in 1-Ethyl-3-methylimidazolium 37: Bis(trifluoromethylsulfonyl)imide from the Microscopic Point of View 37: Environ. Sci. Technol. 47 (2013) pp. 7421-7429 37: -------- -------- --- Thank You --- -------- -------- 37: 37: Free volume 38.02 +/- 0.00 % 37: Total volume 68.92 +/- 0.00 nm^3 37: Number of molecules 340 total mass 63491.38 Dalton 37: Average molar mass: 186.74 Dalton 37: Density rho: 1529.71 +/- 0.00 nm^3 37: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3 37: Molecular van der Waals volume assuming homogeneity: 0.1256 +/- 0.0000 nm^3 37: Fractional free volume 0.194 +/- 0.000 37: [ OK ] FreeVolumeModuleTest.ComputesFreeVolume (105 ms) 37: [ RUN ] FreeVolumeModuleTest.ComputesFreeVolumeSelection 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/tests/freevolume.tpr, VERSION 4.5.5 (single precision) 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: Reading frame 0 time 0.000 Last frame 0 time 0.000 37: Analyzed 1 frames, last time 0.000 37: cutoff = 0.18 nm 37: probe_radius = 0 nm 37: seed = 17 37: ninsert = 1000 probes per nm^3 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Tuanan C. Lourenco and Mariny F. C. Coelho and Teodorico C. Ramalho and David 37: van der Spoel and Luciano T. Costa 37: Insights on the Solubility of CO2 in 1-Ethyl-3-methylimidazolium 37: Bis(trifluoromethylsulfonyl)imide from the Microscopic Point of View 37: Environ. Sci. Technol. 47 (2013) pp. 7421-7429 37: -------- -------- --- Thank You --- -------- -------- 37: 37: Free volume 38.48 +/- 0.00 % 37: Total volume 68.92 +/- 0.00 nm^3 37: Number of molecules 340 total mass 63491.38 Dalton 37: Average molar mass: 186.74 Dalton 37: Density rho: 1529.71 +/- 0.00 nm^3 37: Molecular volume Vm assuming homogeneity: 0.2027 +/- 0.0000 nm^3 37: Molecular van der Waals volume assuming homogeneity: 0.1247 +/- 0.0000 nm^3 37: Fractional free volume 0.200 +/- 0.000 37: [ OK ] FreeVolumeModuleTest.ComputesFreeVolumeSelection (122 ms) 37: [----------] 2 tests from FreeVolumeModuleTest (227 ms total) 37: 37: [----------] 9 tests from PairDistanceModuleTest 37: [ RUN ] PairDistanceModuleTest.ComputesAllDistances 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesAllDistances (3 ms) 37: [ RUN ] PairDistanceModuleTest.ComputesAllDistancesWithCutoff 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesAllDistancesWithCutoff (3 ms) 37: [ RUN ] PairDistanceModuleTest.ComputesMinDistanceWithCutoff 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesMinDistanceWithCutoff (4 ms) 37: [ RUN ] PairDistanceModuleTest.ComputesMaxDistance 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesMaxDistance (5 ms) 37: [ RUN ] PairDistanceModuleTest.ComputesMaxDistanceWithCutoff 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesMaxDistanceWithCutoff (3 ms) 37: [ RUN ] PairDistanceModuleTest.ComputesGroupedMinDistanceWithCutoff 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesGroupedMinDistanceWithCutoff (24 ms) 37: [ RUN ] PairDistanceModuleTest.ComputesGroupedMaxDistanceWithCutoff 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.ComputesGroupedMaxDistanceWithCutoff (5 ms) 37: [ RUN ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwritten 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwritten (4 ms) 37: [ RUN ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwrittenWithExplicitGroup 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] PairDistanceModuleTest.CoordinateSelectionIsNotOverwrittenWithExplicitGroup (4 ms) 37: [----------] 9 tests from PairDistanceModuleTest (55 ms total) 37: 37: [----------] 5 tests from RdfModuleTest 37: [ RUN ] RdfModuleTest.BasicTest 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] RdfModuleTest.BasicTest (23 ms) 37: [ RUN ] RdfModuleTest.SelectionsSolelyFromIndexFileWork 37: Reading frames from gro file '216H2O,WATJP01,SPC216,SPC-MODEL,300K,BOX(M)=1.86206NM,WFVG,MAR. 1984', 648 atoms. 37: Reading frame 0 time 0.000 Last frame 0 time 0.000 37: Analyzed 1 frames, last time 0.000 37: [ OK ] RdfModuleTest.SelectionsSolelyFromIndexFileWork (14 ms) 37: [ RUN ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] RdfModuleTest.SelectionsFromBothTopologyFileAndIndexFileWork (22 ms) 37: [ RUN ] RdfModuleTest.CalculatesSurf 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] RdfModuleTest.CalculatesSurf (52 ms) 37: [ RUN ] RdfModuleTest.CalculatesXY 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] RdfModuleTest.CalculatesXY (60 ms) 37: [----------] 5 tests from RdfModuleTest (171 ms total) 37: 37: [----------] 5 tests from SasaModuleTest 37: [ RUN ] SasaModuleTest.BasicTest 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Frank Eisenhaber and Philip Lijnzaad and Patrick Argos and Chris Sander and 37: Michael Scharf 37: The Double Cube Lattice Method: Efficient Approaches to Numerical Integration 37: of Surface Area and Volume and to Dot Surface Contouring of Molecular 37: Assemblies 37: J. Comp. Chem. 16 (1995) pp. 273-284 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: [ OK ] SasaModuleTest.BasicTest (49 ms) 37: [ RUN ] SasaModuleTest.HandlesSelectedResidues 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Frank Eisenhaber and Philip Lijnzaad and Patrick Argos and Chris Sander and 37: Michael Scharf 37: The Double Cube Lattice Method: Efficient Approaches to Numerical Integration 37: of Surface Area and Volume and to Dot Surface Contouring of Molecular 37: Assemblies 37: J. Comp. Chem. 16 (1995) pp. 273-284 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: [ OK ] SasaModuleTest.HandlesSelectedResidues (16 ms) 37: [ RUN ] SasaModuleTest.WritesConnollySurfaceWithSolute 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Frank Eisenhaber and Philip Lijnzaad and Patrick Argos and Chris Sander and 37: Michael Scharf 37: The Double Cube Lattice Method: Efficient Approaches to Numerical Integration 37: of Surface Area and Volume and to Dot Surface Contouring of Molecular 37: Assemblies 37: J. Comp. Chem. 16 (1995) pp. 273-284 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: [ OK ] SasaModuleTest.WritesConnollySurfaceWithSolute (15 ms) 37: [ RUN ] SasaModuleTest.HandlesDynamicOutputGroup 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Frank Eisenhaber and Philip Lijnzaad and Patrick Argos and Chris Sander and 37: Michael Scharf 37: The Double Cube Lattice Method: Efficient Approaches to Numerical Integration 37: of Surface Area and Volume and to Dot Surface Contouring of Molecular 37: Assemblies 37: J. Comp. Chem. 16 (1995) pp. 273-284 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: [ OK ] SasaModuleTest.HandlesDynamicOutputGroup (29 ms) 37: [ RUN ] SasaModuleTest.HandlesDynamicCalculationGroup 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: Frank Eisenhaber and Philip Lijnzaad and Patrick Argos and Chris Sander and 37: Michael Scharf 37: The Double Cube Lattice Method: Efficient Approaches to Numerical Integration 37: of Surface Area and Volume and to Dot Surface Contouring of Molecular 37: Assemblies 37: J. Comp. Chem. 16 (1995) pp. 273-284 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: NOTE: From version 5.0 trajectoryanalysis-test uses the Van der Waals radii 37: from the source below. This means the results may be different 37: compared to previous GROMACS versions. 37: 37: ++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++ 37: A. Bondi 37: van der Waals Volumes and Radii 37: J. Phys. Chem. 68 (1964) pp. 441-451 37: -------- -------- --- Thank You --- -------- -------- 37: 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: [ OK ] SasaModuleTest.HandlesDynamicCalculationGroup (23 ms) 37: [----------] 5 tests from SasaModuleTest (134 ms total) 37: 37: [----------] 8 tests from SelectModuleTest 37: [ RUN ] SelectModuleTest.BasicTest 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.BasicTest (23 ms) 37: [ RUN ] SelectModuleTest.HandlesPDBOutputWithNonPDBInput 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.HandlesPDBOutputWithNonPDBInput (5 ms) 37: [ RUN ] SelectModuleTest.HandlesPDBOutputWithPDBInput 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.HandlesPDBOutputWithPDBInput (25 ms) 37: [ RUN ] SelectModuleTest.HandlesMaxPDBOutput 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.HandlesMaxPDBOutput (7 ms) 37: [ RUN ] SelectModuleTest.HandlesSelectedPDBOutput 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.HandlesSelectedPDBOutput (6 ms) 37: [ RUN ] SelectModuleTest.NormalizesSizes 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.NormalizesSizes (4 ms) 37: [ RUN ] SelectModuleTest.WritesResidueNumbers 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.WritesResidueNumbers (5 ms) 37: [ RUN ] SelectModuleTest.WritesResidueIndices 37: 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Analyzed topology coordinates 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] SelectModuleTest.WritesResidueIndices (4 ms) 37: [----------] 8 tests from SelectModuleTest (80 ms total) 37: 37: [----------] 10 tests from SurfaceAreaTest 37: [ RUN ] SurfaceAreaTest.ComputesSinglePoint 37: [ OK ] SurfaceAreaTest.ComputesSinglePoint (0 ms) 37: [ RUN ] SurfaceAreaTest.ComputesTwoPoints 37: [ OK ] SurfaceAreaTest.ComputesTwoPoints (2 ms) 37: [ RUN ] SurfaceAreaTest.ComputesTwoPointsOfUnequalRadius 37: [ OK ] SurfaceAreaTest.ComputesTwoPointsOfUnequalRadius (1 ms) 37: [ RUN ] SurfaceAreaTest.SurfacePoints12 37: [ OK ] SurfaceAreaTest.SurfacePoints12 (1 ms) 37: [ RUN ] SurfaceAreaTest.SurfacePoints32 37: [ OK ] SurfaceAreaTest.SurfacePoints32 (9 ms) 37: [ RUN ] SurfaceAreaTest.SurfacePoints42 37: [ OK ] SurfaceAreaTest.SurfacePoints42 (0 ms) 37: [ RUN ] SurfaceAreaTest.SurfacePoints122 37: [ OK ] SurfaceAreaTest.SurfacePoints122 (2 ms) 37: [ RUN ] SurfaceAreaTest.Computes100Points 37: [ OK ] SurfaceAreaTest.Computes100Points (2 ms) 37: [ RUN ] SurfaceAreaTest.Computes100PointsWithRectangularPBC 37: [ OK ] SurfaceAreaTest.Computes100PointsWithRectangularPBC (4 ms) 37: [ RUN ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC 37: [ OK ] SurfaceAreaTest.Computes100PointsWithTriclinicPBC (4 ms) 37: [----------] 10 tests from SurfaceAreaTest (26 ms total) 37: 37: [----------] 4 tests from TopologyInformation 37: [ RUN ] TopologyInformation.CantWorkWithoutReadingAFile 37: [ OK ] TopologyInformation.CantWorkWithoutReadingAFile (0 ms) 37: [ RUN ] TopologyInformation.WorksWithGroFile 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TopologyInformation.WorksWithGroFile (5 ms) 37: [ RUN ] TopologyInformation.WorksWithPdbFile 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TopologyInformation.WorksWithPdbFile (8 ms) 37: [ RUN ] TopologyInformation.WorksWithTprFromPdbFile 37: 37: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.mdp]: 37: For a correct single-point energy evaluation with nsteps = 0, use 37: continuation = yes to avoid constraining the input coordinates. 37: 37: Setting the LD random seed to -41961057 37: Generated 330891 of the 330891 non-bonded parameter combinations 37: Generating 1-4 interactions: fudge = 0.5 37: Generated 330891 of the 330891 1-4 parameter combinations 37: Excluding 3 bonded neighbours molecule type 'Protein_chain_B' 37: 37: NOTE 2 [file lysozyme.top, line 1465]: 37: System has non-zero total charge: 2.000000 37: Total charge should normally be an integer. See 37: http://www.gromacs.org/Documentation/Floating_Point_Arithmetic 37: for discussion on how close it should be to an integer. 37: 37: 37: 37: Number of degrees of freedom in T-Coupling group rest is 465.00 37: 37: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.mdp]: 37: NVE simulation with an initial temperature of zero: will use a Verlet 37: buffer of 10%. Check your energy drift! 37: 37: 37: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.mdp]: 37: You are using a plain Coulomb cut-off, which might produce artifacts. 37: You might want to consider using PME electrostatics. 37: 37: 37: 37: There were 4 notes 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 37: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/trajectoryanalysis/tests/Testing/Temporary/TopologyInformation_WorksWithTprFromPdbFile_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 37: Analysing residue names: 37: There are: 10 Protein residues 37: Analysing Protein... 37: This run will generate roughly 0 Mb of data 37: [ OK ] TopologyInformation.WorksWithTprFromPdbFile (797 ms) 37: [----------] 4 tests from TopologyInformation (810 ms total) 37: 37: [----------] 4 tests from TrajectoryModuleTest 37: [ RUN ] TrajectoryModuleTest.BasicTest 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TrajectoryModuleTest.BasicTest (4 ms) 37: [ RUN ] TrajectoryModuleTest.PlotsXOnly 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TrajectoryModuleTest.PlotsXOnly (3 ms) 37: [ RUN ] TrajectoryModuleTest.HandlesNoVelocities 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TrajectoryModuleTest.HandlesNoVelocities (2 ms) 37: [ RUN ] TrajectoryModuleTest.HandlesNoForces 37: Reading frames from gro file 'Test system', 15 atoms. 37: Reading frame 0 time 0.000 37: WARNING: If there are molecules in the input trajectory file 37: that are broken across periodic boundaries, they 37: cannot be made whole (or treated as whole) without 37: you providing a run input file. 37: 37: Reading frame 1 time 0.000 Last frame 1 time 0.000 37: Analyzed 2 frames, last time 0.000 37: 37: WARNING: Masses and atomic (Van der Waals) radii will be guessed 37: based on residue and atom names, since they could not be 37: definitively assigned from the information in your input 37: files. These guessed numbers might deviate from the mass 37: and radius of the atom type. Please check the output 37: files if necessary. 37: 37: [ OK ] TrajectoryModuleTest.HandlesNoForces (3 ms) 37: [----------] 4 tests from TrajectoryModuleTest (12 ms total) 37: 37: [----------] 5 tests from UnionFinderTest 37: [ RUN ] UnionFinderTest.WorksEmpty 37: [ OK ] UnionFinderTest.WorksEmpty (0 ms) 37: [ RUN ] UnionFinderTest.BasicMerges 37: [ OK ] UnionFinderTest.BasicMerges (0 ms) 37: [ RUN ] UnionFinderTest.LargerMerges 37: [ OK ] UnionFinderTest.LargerMerges (0 ms) 37: [ RUN ] UnionFinderTest.LongRightMerge 37: [ OK ] UnionFinderTest.LongRightMerge (0 ms) 37: [ RUN ] UnionFinderTest.LongLeftMerge 37: [ OK ] UnionFinderTest.LongLeftMerge (0 ms) 37: [----------] 5 tests from UnionFinderTest (0 ms total) 37: 37: [----------] 1 test from MappedUnionFinderTest 37: [ RUN ] MappedUnionFinderTest.BasicMerges 37: [ OK ] MappedUnionFinderTest.BasicMerges (0 ms) 37: [----------] 1 test from MappedUnionFinderTest (0 ms total) 37: 37: [----------] Global test environment tear-down 37: [==========] 82 tests from 16 test cases ran. (2125 ms total) 37: [ PASSED ] 82 tests. 37/54 Test #37: TrajectoryAnalysisUnitTests ......... Passed 2.15 sec test 38 Start 38: EnergyAnalysisUnitTests 38: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/energyanalysis-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/EnergyAnalysisUnitTests.xml" 38: Test timeout computed to be: 30 38: [==========] Running 7 tests from 4 test cases. 38: [----------] Global test environment set-up. 38: [----------] 1 test from DhdlTest 38: [ RUN ] DhdlTest.ExtractDhdl 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/dhdl.edr as double precision energy file 38: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/dhdl.tpr, VERSION 2016-dev-20160810-e3ded7f (double precision) 38: Note: file tpx version 110, software tpx version 119 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.010 Reading energy frame 2 time 0.020 Reading energy frame 3 time 0.030 Reading energy frame 4 time 0.040 Reading energy frame 5 time 0.050 Reading energy frame 6 time 0.060 Reading energy frame 7 time 0.070 Reading energy frame 8 time 0.080 Reading energy frame 9 time 0.090 Reading energy frame 10 time 0.100 Reading energy frame 11 time 0.110 Reading energy frame 12 time 0.120 Reading energy frame 13 time 0.130 Reading energy frame 14 time 0.140 Reading energy frame 15 time 0.150 Reading energy frame 16 time 0.160 Reading energy frame 17 time 0.170 Reading energy frame 18 time 0.180 Reading energy frame 19 time 0.190 Reading energy frame 20 time 0.200 Reading energy frame 30 time 0.300 Reading energy frame 40 time 0.400 Reading energy frame 50 time 0.500 Reading energy frame 60 time 0.600 Reading energy frame 70 time 0.700 Reading energy frame 80 time 0.800 Reading energy frame 90 time 0.900 Reading energy frame 100 time 1.000 Last energy frame read 100 time 1.000 38: 38: 38: Wrote 8 lambda values with 101 samples as 808 dH data blocks to /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/energyanalysis/tests/Testing/Temporary/DhdlTest_ExtractDhdl_dhdl.xvg 38: [ OK ] DhdlTest.ExtractDhdl (46 ms) 38: [----------] 1 test from DhdlTest (47 ms total) 38: 38: [----------] 1 test from OriresTest 38: [ RUN ] OriresTest.ExtractOrires 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/orires.edr as single precision energy file 38: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/orires.tpr, VERSION 2017-dev-20170725-fea8651 (single precision) 38: Note: file tpx version 111, software tpx version 119 38: Found 7 orientation restraints with 1 experimentsSelect the orientation restraint labels you want (-1 is all) 38: End your selection with 0 38: Selecting all 7 orientation restraints 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.002 Reading energy frame 2 time 0.004 Reading energy frame 3 time 0.006 Reading energy frame 4 time 0.008 Reading energy frame 5 time 0.010 Reading energy frame 6 time 0.012 Reading energy frame 7 time 0.014 Reading energy frame 8 time 0.016 Reading energy frame 9 time 0.018 Reading energy frame 10 time 0.020 Last energy frame read 10 time 0.020 38: [ OK ] OriresTest.ExtractOrires (38 ms) 38: [----------] 1 test from OriresTest (38 ms total) 38: 38: [----------] 3 tests from EnergyTest 38: [ RUN ] EnergyTest.ExtractEnergy 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file 38: 38: Select the terms you want from the following list by 38: selecting either (part of) the name or the number or a combination. 38: End your selection with an empty line or a zero. 38: ------------------------------------------------------------------- 38: 1 LJ-(SR) 2 Disper.-corr. 3 Coulomb-(SR) 4 Coul.-recip. 38: 5 Potential 6 Kinetic-En. 7 Total-Energy 8 Temperature 38: 9 Pres.-DC 10 Pressure 11 Box-X 12 Box-Y 38: 13 Box-Z 14 Volume 15 Density 16 pV 38: 17 Enthalpy 18 Vir-XX 19 Vir-XY 20 Vir-XZ 38: 21 Vir-YX 22 Vir-YY 23 Vir-YZ 24 Vir-ZX 38: 25 Vir-ZY 26 Vir-ZZ 27 Pres-XX 28 Pres-XY 38: 29 Pres-XZ 30 Pres-YX 31 Pres-YY 32 Pres-YZ 38: 33 Pres-ZX 34 Pres-ZY 35 Pres-ZZ 36 #Surf*SurfTen 38: 37 Box-Vel-XX 38 Box-Vel-YY 39 Box-Vel-ZZ 40 T-System 38: 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.200 Reading energy frame 2 time 0.400 Reading energy frame 3 time 0.600 Reading energy frame 4 time 0.800 Reading energy frame 5 time 1.000 Reading energy frame 6 time 1.200 Reading energy frame 7 time 1.400 Reading energy frame 8 time 1.600 Reading energy frame 9 time 1.800 Reading energy frame 10 time 2.000 Reading energy frame 11 time 2.200 Reading energy frame 12 time 2.400 Reading energy frame 13 time 2.600 Reading energy frame 14 time 2.800 Reading energy frame 15 time 3.000 Reading energy frame 16 time 3.200 Reading energy frame 17 time 3.400 Reading energy frame 18 time 3.600 Reading energy frame 19 time 3.800 Reading energy frame 20 time 4.000 Reading energy frame 30 time 6.000 Reading energy frame 40 time 8.000 Reading energy frame 50 time 10.000 Last energy frame read 50 time 10.000 38: 38: Statistics over 5001 steps [ 0.0000 through 10.0000 ps ], 3 data sets 38: All statistics are over 5001 points 38: 38: Energy Average Err.Est. RMSD Tot-Drift 38: ------------------------------------------------------------------------------- 38: Potential -34142.2 39 228.993 -62.8906 (kJ/mol) 38: Kinetic En. 6132.38 0.42 119.428 -0.266996 (kJ/mol) 38: Total Energy -28009.8 39 258.637 -63.1577 (kJ/mol) 38: [ OK ] EnergyTest.ExtractEnergy (14 ms) 38: [ RUN ] EnergyTest.ExtractEnergyByNumber 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file 38: 38: Select the terms you want from the following list by 38: selecting either (part of) the name or the number or a combination. 38: End your selection with an empty line or a zero. 38: ------------------------------------------------------------------- 38: 1 LJ-(SR) 2 Disper.-corr. 3 Coulomb-(SR) 4 Coul.-recip. 38: 5 Potential 6 Kinetic-En. 7 Total-Energy 8 Temperature 38: 9 Pres.-DC 10 Pressure 11 Box-X 12 Box-Y 38: 13 Box-Z 14 Volume 15 Density 16 pV 38: 17 Enthalpy 18 Vir-XX 19 Vir-XY 20 Vir-XZ 38: 21 Vir-YX 22 Vir-YY 23 Vir-YZ 24 Vir-ZX 38: 25 Vir-ZY 26 Vir-ZZ 27 Pres-XX 28 Pres-XY 38: 29 Pres-XZ 30 Pres-YX 31 Pres-YY 32 Pres-YZ 38: 33 Pres-ZX 34 Pres-ZY 35 Pres-ZZ 36 #Surf*SurfTen 38: 37 Box-Vel-XX 38 Box-Vel-YY 39 Box-Vel-ZZ 40 T-System 38: 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.200 Reading energy frame 2 time 0.400 Reading energy frame 3 time 0.600 Reading energy frame 4 time 0.800 Reading energy frame 5 time 1.000 Reading energy frame 6 time 1.200 Reading energy frame 7 time 1.400 Reading energy frame 8 time 1.600 Reading energy frame 9 time 1.800 Reading energy frame 10 time 2.000 Reading energy frame 11 time 2.200 Reading energy frame 12 time 2.400 Reading energy frame 13 time 2.600 Reading energy frame 14 time 2.800 Reading energy frame 15 time 3.000 Reading energy frame 16 time 3.200 Reading energy frame 17 time 3.400 Reading energy frame 18 time 3.600 Reading energy frame 19 time 3.800 Reading energy frame 20 time 4.000 Reading energy frame 30 time 6.000 Reading energy frame 40 time 8.000 Reading energy frame 50 time 10.000 Last energy frame read 50 time 10.000 38: 38: Statistics over 5001 steps [ 0.0000 through 10.0000 ps ], 3 data sets 38: All statistics are over 5001 points 38: 38: Energy Average Err.Est. RMSD Tot-Drift 38: ------------------------------------------------------------------------------- 38: Coul. recip. 302.771 2.8 17.5152 12.5403 (kJ/mol) 38: Kinetic En. 6132.38 0.42 119.428 -0.266996 (kJ/mol) 38: Pres. DC -268.49 3 8.52175 13.2804 (bar) 38: [ OK ] EnergyTest.ExtractEnergyByNumber (9 ms) 38: [ RUN ] EnergyTest.ExtractEnergyMixed 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file 38: 38: Select the terms you want from the following list by 38: selecting either (part of) the name or the number or a combination. 38: End your selection with an empty line or a zero. 38: ------------------------------------------------------------------- 38: 1 LJ-(SR) 2 Disper.-corr. 3 Coulomb-(SR) 4 Coul.-recip. 38: 5 Potential 6 Kinetic-En. 7 Total-Energy 8 Temperature 38: 9 Pres.-DC 10 Pressure 11 Box-X 12 Box-Y 38: 13 Box-Z 14 Volume 15 Density 16 pV 38: 17 Enthalpy 18 Vir-XX 19 Vir-XY 20 Vir-XZ 38: 21 Vir-YX 22 Vir-YY 23 Vir-YZ 24 Vir-ZX 38: 25 Vir-ZY 26 Vir-ZZ 27 Pres-XX 28 Pres-XY 38: 29 Pres-XZ 30 Pres-YX 31 Pres-YY 32 Pres-YZ 38: 33 Pres-ZX 34 Pres-ZY 35 Pres-ZZ 36 #Surf*SurfTen 38: 37 Box-Vel-XX 38 Box-Vel-YY 39 Box-Vel-ZZ 40 T-System 38: 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.200 Reading energy frame 2 time 0.400 Reading energy frame 3 time 0.600 Reading energy frame 4 time 0.800 Reading energy frame 5 time 1.000 Reading energy frame 6 time 1.200 Reading energy frame 7 time 1.400 Reading energy frame 8 time 1.600 Reading energy frame 9 time 1.800 Reading energy frame 10 time 2.000 Reading energy frame 11 time 2.200 Reading energy frame 12 time 2.400 Reading energy frame 13 time 2.600 Reading energy frame 14 time 2.800 Reading energy frame 15 time 3.000 Reading energy frame 16 time 3.200 Reading energy frame 17 time 3.400 Reading energy frame 18 time 3.600 Reading energy frame 19 time 3.800 Reading energy frame 20 time 4.000 Reading energy frame 30 time 6.000 Reading energy frame 40 time 8.000 Reading energy frame 50 time 10.000 Last energy frame read 50 time 10.000 38: 38: Statistics over 5001 steps [ 0.0000 through 10.0000 ps ], 4 data sets 38: All statistics are over 5001 points 38: 38: Energy Average Err.Est. RMSD Tot-Drift 38: ------------------------------------------------------------------------------- 38: Total Energy -28009.8 39 258.637 -63.1577 (kJ/mol) 38: Pressure 5.34371 4.1 605.307 -4.88771 (bar) 38: Box-Z 2.92457 0.0054 0.0151558 0.0234974 (nm) 38: Volume 25.0162 0.14 0.386769 0.598615 (nm^3) 38: [ OK ] EnergyTest.ExtractEnergyMixed (29 ms) 38: [----------] 3 tests from EnergyTest (52 ms total) 38: 38: [----------] 2 tests from ViscosityTest 38: [ RUN ] ViscosityTest.EinsteinViscosity 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.200 Reading energy frame 2 time 0.400 Reading energy frame 3 time 0.600 Reading energy frame 4 time 0.800 Reading energy frame 5 time 1.000 Reading energy frame 6 time 1.200 Reading energy frame 7 time 1.400 Reading energy frame 8 time 1.600 Reading energy frame 9 time 1.800 Reading energy frame 10 time 2.000 Reading energy frame 11 time 2.200 Reading energy frame 12 time 2.400 Reading energy frame 13 time 2.600 Reading energy frame 14 time 2.800 Reading energy frame 15 time 3.000 Reading energy frame 16 time 3.200 Reading energy frame 17 time 3.400 Reading energy frame 18 time 3.600 Reading energy frame 19 time 3.800 Reading energy frame 20 time 4.000 Reading energy frame 30 time 6.000 Reading energy frame 40 time 8.000 Reading energy frame 50 time 10.000 Last energy frame read 50 time 10.000 38: 38: Statistics over 5001 steps [ 0.0000 through 10.0000 ps ], 12 data sets 38: All statistics are over 5001 points 38: 38: Energy Average Err.Est. RMSD Tot-Drift 38: ------------------------------------------------------------------------------- 38: Pres-XX 20.2092 65 717.193 185.978 (bar) 38: Pres-XY -47.7351 39 372.522 207.456 (bar) 38: Pres-XZ 11.477 31 379.79 6.80818 (bar) 38: Pres-YX -47.7106 39 372.525 207.5 (bar) 38: Pres-YY 38.9241 40 803.899 -27.1505 (bar) 38: Pres-YZ -41.3534 45 401.216 114.663 (bar) 38: Pres-ZX 11.5238 31 379.804 6.91707 (bar) 38: Pres-ZY -41.3119 45 401.196 114.743 (bar) 38: Pres-ZZ -43.1021 63 748.522 -173.491 (bar) 38: Temperature 300.001 0.02 5.8425 -0.0130558 (K) 38: Volume 25.0162 0.14 0.386769 0.598615 (nm^3) 38: Pressure 5.34371 4.1 605.307 -4.88771 (bar) 38: [ OK ] ViscosityTest.EinsteinViscosity (999 ms) 38: [ RUN ] ViscosityTest.EinsteinViscosityIntegral 38: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/energyanalysis/tests/ener.edr as single precision energy file 38: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.200 Reading energy frame 2 time 0.400 Reading energy frame 3 time 0.600 Reading energy frame 4 time 0.800 Reading energy frame 5 time 1.000 Reading energy frame 6 time 1.200 Reading energy frame 7 time 1.400 Reading energy frame 8 time 1.600 Reading energy frame 9 time 1.800 Reading energy frame 10 time 2.000 Reading energy frame 11 time 2.200 Reading energy frame 12 time 2.400 Reading energy frame 13 time 2.600 Reading energy frame 14 time 2.800 Reading energy frame 15 time 3.000 Reading energy frame 16 time 3.200 Reading energy frame 17 time 3.400 Reading energy frame 18 time 3.600 Reading energy frame 19 time 3.800 Reading energy frame 20 time 4.000 Reading energy frame 30 time 6.000 Reading energy frame 40 time 8.000 Reading energy frame 50 time 10.000 Last energy frame read 50 time 10.000 38: 38: Statistics over 5001 steps [ 0.0000 through 10.0000 ps ], 12 data sets 38: All statistics are over 5001 points 38: 38: Energy Average Err.Est. RMSD Tot-Drift 38: ------------------------------------------------------------------------------- 38: Pres-XX 20.2092 65 717.193 185.978 (bar) 38: Pres-XY -47.7351 39 372.522 207.456 (bar) 38: Pres-XZ 11.477 31 379.79 6.80818 (bar) 38: Pres-YX -47.7106 39 372.525 207.5 (bar) 38: Pres-YY 38.9241 40 803.899 -27.1505 (bar) 38: Pres-YZ -41.3534 45 401.216 114.663 (bar) 38: Pres-ZX 11.5238 31 379.804 6.91707 (bar) 38: Pres-ZY -41.3119 45 401.196 114.743 (bar) 38: Pres-ZZ -43.1021 63 748.522 -173.491 (bar) 38: Temperature 300.001 0.02 5.8425 -0.0130558 (K) 38: Volume 25.0162 0.14 0.386769 0.598615 (nm^3) 38: Pressure 5.34371 4.1 605.307 -4.88771 (bar) 38: [ OK ] ViscosityTest.EinsteinViscosityIntegral (906 ms) 38: [----------] 2 tests from ViscosityTest (1905 ms total) 38: 38: [----------] Global test environment tear-down 38: [==========] 7 tests from 4 test cases ran. (2042 ms total) 38: [ PASSED ] 7 tests. 38/54 Test #38: EnergyAnalysisUnitTests ............. Passed 2.75 sec test 39 Start 39: ToolUnitTests 39: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/tool-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/ToolUnitTests.xml" 39: Test timeout computed to be: 30 39: [==========] Running 18 tests from 4 test cases. 39: [----------] Global test environment set-up. 39: [----------] 2 tests from DumpTest 39: 39: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.mdp]: 39: For a correct single-point energy evaluation with nsteps = 0, use 39: continuation = yes to avoid constraining the input coordinates. 39: 39: Setting the LD random seed to -1628640513 39: Generated 330891 of the 330891 non-bonded parameter combinations 39: Generating 1-4 interactions: fudge = 0.5 39: Generated 330891 of the 330891 1-4 parameter combinations 39: Excluding 3 bonded neighbours molecule type 'Protein_chain_B' 39: 39: NOTE 2 [file lysozyme.top, line 1465]: 39: System has non-zero total charge: 2.000000 39: Total charge should normally be an integer. See 39: http://www.gromacs.org/Documentation/Floating_Point_Arithmetic 39: for discussion on how close it should be to an integer. 39: 39: 39: 39: Number of degrees of freedom in T-Coupling group rest is 465.00 39: 39: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.mdp]: 39: NVE simulation with an initial temperature of zero: will use a Verlet 39: buffer of 10%. Check your energy drift! 39: 39: 39: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.mdp]: 39: You are using a plain Coulomb cut-off, which might produce artifacts. 39: You might want to consider using PME electrostatics. 39: 39: 39: 39: There were 4 notes 39: Analysing residue names: 39: There are: 10 Protein residues 39: Analysing Protein... 39: This run will generate roughly 0 Mb of data 39: [ RUN ] DumpTest.WorksWithTpr 39: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 39: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 39: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr: 39: inputrec: 39: integrator = md 39: tinit = 0 39: dt = 0.001 39: nsteps = 0 39: init-step = 0 39: simulation-part = 1 39: comm-mode = Linear 39: nstcomm = 100 39: bd-fric = 0 39: ld-seed = -1628640513 39: emtol = 10 39: emstep = 0.01 39: niter = 20 39: fcstep = 0 39: nstcgsteep = 1000 39: nbfgscorr = 10 39: rtpi = 0.05 39: nstxout = 0 39: nstvout = 0 39: nstfout = 0 39: nstlog = 1000 39: nstcalcenergy = 100 39: nstenergy = 1000 39: nstxout-compressed = 0 39: compressed-x-precision = 1000 39: cutoff-scheme = Verlet 39: nstlist = 10 39: pbc = xyz 39: periodic-molecules = false 39: verlet-buffer-tolerance = -1 39: rlist = 1.1 39: coulombtype = Cut-off 39: coulomb-modifier = Potential-shift 39: rcoulomb-switch = 0 39: rcoulomb = 1 39: epsilon-r = 1 39: epsilon-rf = inf 39: vdw-type = Cut-off 39: vdw-modifier = Potential-shift 39: rvdw-switch = 0 39: rvdw = 1 39: DispCorr = No 39: table-extension = 1 39: fourierspacing = 0.12 39: fourier-nx = 0 39: fourier-ny = 0 39: fourier-nz = 0 39: pme-order = 4 39: ewald-rtol = 1e-05 39: ewald-rtol-lj = 0.001 39: lj-pme-comb-rule = Geometric 39: ewald-geometry = 0 39: epsilon-surface = 0 39: tcoupl = No 39: nsttcouple = -1 39: nh-chain-length = 0 39: print-nose-hoover-chain-variables = false 39: pcoupl = No 39: pcoupltype = Isotropic 39: nstpcouple = -1 39: tau-p = 1 39: compressibility (3x3): 39: compressibility[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: compressibility[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: compressibility[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: ref-p (3x3): 39: ref-p[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: ref-p[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: ref-p[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: refcoord-scaling = No 39: posres-com (3): 39: posres-com[0]= 0.00000e+00 39: posres-com[1]= 0.00000e+00 39: posres-com[2]= 0.00000e+00 39: posres-comB (3): 39: posres-comB[0]= 0.00000e+00 39: posres-comB[1]= 0.00000e+00 39: posres-comB[2]= 0.00000e+00 39: QMMM = false 39: QMconstraints = 0 39: QMMMscheme = 0 39: MMChargeScaleFactor = 1 39: qm-opts: 39: ngQM = 0 39: constraint-algorithm = Lincs 39: continuation = false 39: Shake-SOR = false 39: shake-tol = 0.0001 39: lincs-order = 4 39: lincs-iter = 1 39: lincs-warnangle = 30 39: nwall = 0 39: wall-type = 9-3 39: wall-r-linpot = -1 39: wall-atomtype[0] = -1 39: wall-atomtype[1] = -1 39: wall-density[0] = 0 39: wall-density[1] = 0 39: wall-ewald-zfac = 3 39: pull = false 39: awh = false 39: rotation = false 39: interactiveMD = false 39: disre = No 39: disre-weighting = Conservative 39: disre-mixed = false 39: dr-fc = 1000 39: dr-tau = 0 39: nstdisreout = 100 39: orire-fc = 0 39: orire-tau = 0 39: nstorireout = 100 39: free-energy = no 39: cos-acceleration = 0 39: deform (3x3): 39: deform[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: deform[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: deform[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: simulated-tempering = false 39: swapcoords = no 39: userint1 = 0 39: userint2 = 0 39: userint3 = 0 39: userint4 = 0 39: userreal1 = 0 39: userreal2 = 0 39: userreal3 = 0 39: userreal4 = 0 39: applied-forces: 39: electric-field: 39: x: 39: E0 = 0 39: omega = 0 39: t0 = 0 39: sigma = 0 39: y: 39: E0 = 0 39: omega = 0 39: t0 = 0 39: sigma = 0 39: z: 39: E0 = 0 39: omega = 0 39: t0 = 0 39: sigma = 0 39: density-guided-simulation: 39: active = false 39: group = protein 39: similarity-measure = inner-product 39: atom-spreading-weight = unity 39: force-constant = 1e+09 39: gaussian-transform-spreading-width = 0.2 39: gaussian-transform-spreading-range-in-multiples-of-width = 4 39: reference-density-filename = reference.mrc 39: nst = 1 39: normalize-densities = true 39: adaptive-force-scaling = false 39: adaptive-force-scaling-time-constant = 4 39: grpopts: 39: nrdf: 465 39: ref-t: 0 39: tau-t: 0 39: annealing: No 39: annealing-npoints: 0 39: acc: 0 0 0 39: nfreeze: N N N 39: energygrp-flags[ 0]: 0 39: header: 39: bIr = present 39: bBox = present 39: bTop = present 39: bX = present 39: bV = present 39: bF = not present 39: natoms = 156 39: lambda = 0.000000e+00 39: buffer size = 70122 39: topology: 39: name="First 10 residues from 1AKI" 39: #atoms = 156 39: #molblock = 1 39: molblock (0): 39: moltype = 0 "Protein_chain_B" 39: #molecules = 1 39: #posres_xA = 0 39: #posres_xB = 0 39: bIntermolecularInteractions = false 39: ffparams: 39: atnr=10 39: ntypes=212 39: functype[0]=LJ_SR, c6= 3.35274678e-03, c12= 3.95094442e-06 39: functype[1]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[2]=LJ_SR, c6= 2.60916961e-03, c12= 3.84022374e-06 39: functype[3]=LJ_SR, c6= 6.41072082e-04, c12= 3.43856290e-07 39: functype[4]=LJ_SR, c6= 4.04775915e-03, c12= 7.32754594e-06 39: functype[5]=LJ_SR, c6= 2.81521126e-03, c12= 2.50631820e-06 39: functype[6]=LJ_SR, c6= 2.80388560e-03, c12= 4.30621225e-06 39: functype[7]=LJ_SR, c6= 5.81477529e-04, c12= 2.82897505e-07 39: functype[8]=LJ_SR, c6= 6.03335344e-04, c12= 2.35915461e-07 39: functype[9]=LJ_SR, c6= 7.20490366e-03, c12= 1.15394674e-05 39: functype[10]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[11]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[12]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[13]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[14]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[15]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[16]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[17]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[18]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[19]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[20]=LJ_SR, c6= 2.60916961e-03, c12= 3.84022374e-06 39: functype[21]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[22]=LJ_SR, c6= 2.03050409e-03, c12= 3.73260587e-06 39: functype[23]=LJ_SR, c6= 4.98894161e-04, c12= 3.34220112e-07 39: functype[24]=LJ_SR, c6= 3.15004110e-03, c12= 7.12219987e-06 39: functype[25]=LJ_SR, c6= 2.19084952e-03, c12= 2.43608151e-06 39: functype[26]=LJ_SR, c6= 2.18203568e-03, c12= 4.18553559e-06 39: functype[27]=LJ_SR, c6= 4.52516577e-04, c12= 2.74969627e-07 39: functype[28]=LJ_SR, c6= 4.69526733e-04, c12= 2.29304201e-07 39: functype[29]=LJ_SR, c6= 5.60698940e-03, c12= 1.12160870e-05 39: functype[30]=LJ_SR, c6= 6.41072082e-04, c12= 3.43856290e-07 39: functype[31]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[32]=LJ_SR, c6= 4.98894161e-04, c12= 3.34220112e-07 39: functype[33]=LJ_SR, c6= 1.22578125e-04, c12= 2.99263000e-08 39: functype[34]=LJ_SR, c6= 7.73964023e-04, c12= 6.37726703e-07 39: functype[35]=LJ_SR, c6= 5.38290978e-04, c12= 2.18128423e-07 39: functype[36]=LJ_SR, c6= 5.36125420e-04, c12= 3.74775753e-07 39: functype[37]=LJ_SR, c6= 1.11183168e-04, c12= 2.46209706e-08 39: functype[38]=LJ_SR, c6= 1.15362558e-04, c12= 2.05320568e-08 39: functype[39]=LJ_SR, c6= 1.37763538e-03, c12= 1.00429619e-06 39: functype[40]=LJ_SR, c6= 4.04775915e-03, c12= 7.32754594e-06 39: functype[41]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[42]=LJ_SR, c6= 3.15004110e-03, c12= 7.12219987e-06 39: functype[43]=LJ_SR, c6= 7.73964023e-04, c12= 6.37726703e-07 39: functype[44]=LJ_SR, c6= 4.88684509e-03, c12= 1.35898974e-05 39: functype[45]=LJ_SR, c6= 3.39879445e-03, c12= 4.64829665e-06 39: functype[46]=LJ_SR, c6= 3.38512102e-03, c12= 7.98643684e-06 39: functype[47]=LJ_SR, c6= 7.02015733e-04, c12= 5.24670621e-07 39: functype[48]=LJ_SR, c6= 7.28404594e-04, c12= 4.37536244e-07 39: functype[49]=LJ_SR, c6= 8.69845432e-03, c12= 2.14014596e-05 39: functype[50]=LJ_SR, c6= 2.81521126e-03, c12= 2.50631820e-06 39: functype[51]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[52]=LJ_SR, c6= 2.19084952e-03, c12= 2.43608151e-06 39: functype[53]=LJ_SR, c6= 5.38290978e-04, c12= 2.18128423e-07 39: functype[54]=LJ_SR, c6= 3.39879445e-03, c12= 4.64829665e-06 39: functype[55]=LJ_SR, c6= 2.36385715e-03, c12= 1.58990617e-06 39: functype[56]=LJ_SR, c6= 2.35434729e-03, c12= 2.73168564e-06 39: functype[57]=LJ_SR, c6= 4.88251036e-04, c12= 1.79458653e-07 39: functype[58]=LJ_SR, c6= 5.06604455e-04, c12= 1.49655159e-07 39: functype[59]=LJ_SR, c6= 6.04976375e-03, c12= 7.32016804e-06 39: functype[60]=LJ_SR, c6= 2.80388560e-03, c12= 4.30621225e-06 39: functype[61]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[62]=LJ_SR, c6= 2.18203568e-03, c12= 4.18553559e-06 39: functype[63]=LJ_SR, c6= 5.36125420e-04, c12= 3.74775753e-07 39: functype[64]=LJ_SR, c6= 3.38512102e-03, c12= 7.98643684e-06 39: functype[65]=LJ_SR, c6= 2.35434729e-03, c12= 2.73168564e-06 39: functype[66]=LJ_SR, c6= 2.34487570e-03, c12= 4.69342567e-06 39: functype[67]=LJ_SR, c6= 4.86286790e-04, c12= 3.08335570e-07 39: functype[68]=LJ_SR, c6= 5.04566372e-04, c12= 2.57128914e-07 39: functype[69]=LJ_SR, c6= 6.02542540e-03, c12= 1.25770931e-05 39: functype[70]=LJ_SR, c6= 5.81477529e-04, c12= 2.82897505e-07 39: functype[71]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[72]=LJ_SR, c6= 4.52516577e-04, c12= 2.74969627e-07 39: functype[73]=LJ_SR, c6= 1.11183168e-04, c12= 2.46209706e-08 39: functype[74]=LJ_SR, c6= 7.02015733e-04, c12= 5.24670621e-07 39: functype[75]=LJ_SR, c6= 4.88251036e-04, c12= 1.79458653e-07 39: functype[76]=LJ_SR, c6= 4.86286790e-04, c12= 3.08335570e-07 39: functype[77]=LJ_SR, c6= 1.00847496e-04, c12= 2.02561691e-08 39: functype[78]=LJ_SR, c6= 1.04638366e-04, c12= 1.68921372e-08 39: functype[79]=LJ_SR, c6= 1.24956934e-03, c12= 8.26254733e-07 39: functype[80]=LJ_SR, c6= 6.03335344e-04, c12= 2.35915461e-07 39: functype[81]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[82]=LJ_SR, c6= 4.69526733e-04, c12= 2.29304201e-07 39: functype[83]=LJ_SR, c6= 1.15362558e-04, c12= 2.05320568e-08 39: functype[84]=LJ_SR, c6= 7.28404594e-04, c12= 4.37536244e-07 39: functype[85]=LJ_SR, c6= 5.06604455e-04, c12= 1.49655159e-07 39: functype[86]=LJ_SR, c6= 5.04566372e-04, c12= 2.57128914e-07 39: functype[87]=LJ_SR, c6= 1.04638366e-04, c12= 1.68921372e-08 39: functype[88]=LJ_SR, c6= 1.08571736e-04, c12= 1.40867851e-08 39: functype[89]=LJ_SR, c6= 1.29654081e-03, c12= 6.89034944e-07 39: functype[90]=LJ_SR, c6= 7.20490366e-03, c12= 1.15394674e-05 39: functype[91]=LJ_SR, c6= 0.00000000e+00, c12= 0.00000000e+00 39: functype[92]=LJ_SR, c6= 5.60698940e-03, c12= 1.12160870e-05 39: functype[93]=LJ_SR, c6= 1.37763538e-03, c12= 1.00429619e-06 39: functype[94]=LJ_SR, c6= 8.69845432e-03, c12= 2.14014596e-05 39: functype[95]=LJ_SR, c6= 6.04976375e-03, c12= 7.32016804e-06 39: functype[96]=LJ_SR, c6= 6.02542540e-03, c12= 1.25770931e-05 39: functype[97]=LJ_SR, c6= 1.24956934e-03, c12= 8.26254733e-07 39: functype[98]=LJ_SR, c6= 1.29654081e-03, c12= 6.89034944e-07 39: functype[99]=LJ_SR, c6= 1.54830174e-02, c12= 3.37031588e-05 39: functype[100]=BONDS, b0A= 1.01000e-01, cbA= 3.63171e+05, b0B= 1.01000e-01, cbB= 3.63171e+05 39: functype[101]=BONDS, b0A= 1.47100e-01, cbA= 3.07106e+05, b0B= 1.47100e-01, cbB= 3.07106e+05 39: functype[102]=BONDS, b0A= 1.09000e-01, cbA= 2.84512e+05, b0B= 1.09000e-01, cbB= 2.84512e+05 39: functype[103]=BONDS, b0A= 1.52900e-01, cbA= 2.24262e+05, b0B= 1.52900e-01, cbB= 2.24262e+05 39: functype[104]=BONDS, b0A= 1.52200e-01, cbA= 2.65266e+05, b0B= 1.52200e-01, cbB= 2.65266e+05 39: functype[105]=BONDS, b0A= 1.22900e-01, cbA= 4.76976e+05, b0B= 1.22900e-01, cbB= 4.76976e+05 39: functype[106]=BONDS, b0A= 1.33500e-01, cbA= 4.10032e+05, b0B= 1.33500e-01, cbB= 4.10032e+05 39: functype[107]=BONDS, b0A= 1.44900e-01, cbA= 2.82002e+05, b0B= 1.44900e-01, cbB= 2.82002e+05 39: functype[108]=BONDS, b0A= 1.51000e-01, cbA= 2.65266e+05, b0B= 1.51000e-01, cbB= 2.65266e+05 39: functype[109]=BONDS, b0A= 1.40000e-01, cbA= 3.92459e+05, b0B= 1.40000e-01, cbB= 3.92459e+05 39: functype[110]=BONDS, b0A= 1.08000e-01, cbA= 3.07106e+05, b0B= 1.08000e-01, cbB= 3.07106e+05 39: functype[111]=BONDS, b0A= 1.46300e-01, cbA= 2.82002e+05, b0B= 1.46300e-01, cbB= 2.82002e+05 39: functype[112]=BONDS, b0A= 1.34000e-01, cbA= 4.02501e+05, b0B= 1.34000e-01, cbB= 4.02501e+05 39: functype[113]=BONDS, b0A= 1.81000e-01, cbA= 1.85770e+05, b0B= 1.81000e-01, cbB= 1.85770e+05 39: functype[114]=BONDS, b0A= 1.33600e-01, cbA= 2.29283e+05, b0B= 1.33600e-01, cbB= 2.29283e+05 39: functype[115]=BONDS, b0A= 1.25000e-01, cbA= 5.48941e+05, b0B= 1.25000e-01, cbB= 5.48941e+05 39: functype[116]=ANGLES, thA= 1.09500e+02, ctA= 2.92880e+02, thB= 1.09500e+02, ctB= 2.92880e+02 39: functype[117]=ANGLES, thA= 1.11200e+02, ctA= 6.69440e+02, thB= 1.11200e+02, ctB= 6.69440e+02 39: functype[118]=ANGLES, thA= 1.10700e+02, ctA= 3.13800e+02, thB= 1.10700e+02, ctB= 3.13800e+02 39: functype[119]=ANGLES, thA= 1.11100e+02, ctA= 5.27184e+02, thB= 1.11100e+02, ctB= 5.27184e+02 39: functype[120]=ANGLES, thA= 1.12700e+02, ctA= 4.88273e+02, thB= 1.12700e+02, ctB= 4.88273e+02 39: functype[121]=ANGLES, thA= 1.07800e+02, ctA= 2.76144e+02, thB= 1.07800e+02, ctB= 2.76144e+02 39: functype[122]=ANGLES, thA= 1.20400e+02, ctA= 6.69440e+02, thB= 1.20400e+02, ctB= 6.69440e+02 39: functype[123]=ANGLES, thA= 1.16600e+02, ctA= 5.85760e+02, thB= 1.16600e+02, ctB= 5.85760e+02 39: functype[124]=ANGLES, thA= 1.22900e+02, ctA= 6.69440e+02, thB= 1.22900e+02, ctB= 6.69440e+02 39: functype[125]=ANGLES, thA= 1.19800e+02, ctA= 2.92880e+02, thB= 1.19800e+02, ctB= 2.92880e+02 39: functype[126]=ANGLES, thA= 1.21900e+02, ctA= 4.18400e+02, thB= 1.21900e+02, ctB= 4.18400e+02 39: functype[127]=ANGLES, thA= 1.18400e+02, ctA= 3.17984e+02, thB= 1.18400e+02, ctB= 3.17984e+02 39: functype[128]=ANGLES, thA= 1.09700e+02, ctA= 6.69440e+02, thB= 1.09700e+02, ctB= 6.69440e+02 39: functype[129]=ANGLES, thA= 1.10100e+02, ctA= 5.27184e+02, thB= 1.10100e+02, ctB= 5.27184e+02 39: functype[130]=ANGLES, thA= 1.14000e+02, ctA= 5.27184e+02, thB= 1.14000e+02, ctB= 5.27184e+02 39: functype[131]=ANGLES, thA= 1.20000e+02, ctA= 5.85760e+02, thB= 1.20000e+02, ctB= 5.85760e+02 39: functype[132]=ANGLES, thA= 1.20000e+02, ctA= 5.27184e+02, thB= 1.20000e+02, ctB= 5.27184e+02 39: functype[133]=ANGLES, thA= 1.20000e+02, ctA= 2.92880e+02, thB= 1.20000e+02, ctB= 2.92880e+02 39: functype[134]=ANGLES, thA= 1.18400e+02, ctA= 2.92880e+02, thB= 1.18400e+02, ctB= 2.92880e+02 39: functype[135]=ANGLES, thA= 1.23200e+02, ctA= 4.18400e+02, thB= 1.23200e+02, ctB= 4.18400e+02 39: functype[136]=ANGLES, thA= 1.08600e+02, ctA= 4.18400e+02, thB= 1.08600e+02, ctB= 4.18400e+02 39: functype[137]=ANGLES, thA= 9.60000e+01, ctA= 3.68192e+02, thB= 9.60000e+01, ctB= 3.68192e+02 39: functype[138]=ANGLES, thA= 1.17000e+02, ctA= 5.85760e+02, thB= 1.17000e+02, ctB= 5.85760e+02 39: functype[139]=ANGLES, thA= 1.26000e+02, ctA= 6.69440e+02, thB= 1.26000e+02, ctB= 6.69440e+02 39: functype[140]=PDIHS, phiA= 1.80000000e+02, cpA= 4.39320000e+01, phiB= 1.80000000e+02, cpB= 4.39320000e+01, mult=2 39: functype[141]=PDIHS, phiA= 1.80000000e+02, cpA= 4.18400000e+00, phiB= 1.80000000e+02, cpB= 4.18400000e+00, mult=2 39: functype[142]=PDIHS, phiA= 1.80000000e+02, cpA= 4.60240000e+00, phiB= 1.80000000e+02, cpB= 4.60240000e+00, mult=2 39: functype[143]=RBDIHS, rbcA[0]= 5.46010000e-01, rbcA[1]= 1.63803000e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-2.18405000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 5.46010000e-01, rbcB[1]= 1.63803000e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-2.18405000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[144]=RBDIHS, rbcA[0]= 7.25920000e-01, rbcA[1]= 2.17777000e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-2.90370000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 7.25920000e-01, rbcB[1]= 2.17777000e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-2.90370000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[145]=RBDIHS, rbcA[0]= 1.27612000e+00, rbcA[1]= 1.16734000e+00, rbcA[2]= 8.95380000e-01, rbcA[3]=-3.33884000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 1.27612000e+00, rbcB[1]= 1.16734000e+00, rbcB[2]= 8.95380000e-01, rbcB[3]=-3.33884000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[146]=RBDIHS, rbcA[0]=-6.91824000e+00, rbcA[1]= 4.67562000e+00, rbcA[2]= 2.24262000e+00, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-6.91824000e+00, rbcB[1]= 4.67562000e+00, rbcB[2]= 2.24262000e+00, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[147]=RBDIHS, rbcA[0]= 9.70690000e-01, rbcA[1]= 2.91206000e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-3.88275000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 9.70690000e-01, rbcB[1]= 2.91206000e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-3.88275000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[148]=RBDIHS, rbcA[0]= 6.27600000e-01, rbcA[1]= 1.88280000e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-2.51040000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 6.27600000e-01, rbcB[1]= 1.88280000e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-2.51040000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[149]=RBDIHS, rbcA[0]=-1.58990000e-01, rbcA[1]=-4.76980000e-01, rbcA[2]= 0.00000000e+00, rbcA[3]= 6.35960000e-01, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-1.58990000e-01, rbcB[1]=-4.76980000e-01, rbcB[2]= 0.00000000e+00, rbcB[3]= 6.35960000e-01, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[150]=RBDIHS, rbcA[0]= 1.03637600e+01, rbcA[1]=-6.60654000e+00, rbcA[2]=-1.04934700e+01, rbcA[3]= 6.73624000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 1.03637600e+01, rbcB[1]=-6.60654000e+00, rbcB[2]=-1.04934700e+01, rbcB[3]= 6.73624000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[151]=RBDIHS, rbcA[0]= 5.00825000e+00, rbcA[1]=-1.69870000e+00, rbcA[2]=-3.72380000e-01, rbcA[3]=-2.93716000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 5.00825000e+00, rbcB[1]=-1.69870000e+00, rbcB[2]=-3.72380000e-01, rbcB[3]=-2.93716000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[152]=RBDIHS, rbcA[0]= 2.92880000e+00, rbcA[1]=-1.46440000e+00, rbcA[2]= 2.09200000e-01, rbcA[3]=-1.67360000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 2.92880000e+00, rbcB[1]=-1.46440000e+00, rbcB[2]= 2.09200000e-01, rbcB[3]=-1.67360000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[153]=RBDIHS, rbcA[0]= 5.77183000e+00, rbcA[1]=-2.67148000e+00, rbcA[2]= 9.58140000e-01, rbcA[3]=-4.05848000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 5.77183000e+00, rbcB[1]=-2.67148000e+00, rbcB[2]= 9.58140000e-01, rbcB[3]=-4.05848000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[154]=RBDIHS, rbcA[0]= 8.03330000e-01, rbcA[1]= 2.40999000e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-3.21331000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 8.03330000e-01, rbcB[1]= 2.40999000e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-3.21331000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[155]=RBDIHS, rbcA[0]= 2.05016000e+01, rbcA[1]= 0.00000000e+00, rbcA[2]=-2.05016000e+01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 2.05016000e+01, rbcB[1]= 0.00000000e+00, rbcB[2]=-2.05016000e+01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[156]=RBDIHS, rbcA[0]= 3.02879800e+01, rbcA[1]=-4.81160000e+00, rbcA[2]=-2.54763800e+01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.02879800e+01, rbcB[1]=-4.81160000e+00, rbcB[2]=-2.54763800e+01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[157]=RBDIHS, rbcA[0]= 2.54763800e+01, rbcA[1]= 0.00000000e+00, rbcA[2]=-2.54763800e+01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 2.54763800e+01, rbcB[1]= 0.00000000e+00, rbcB[2]=-2.54763800e+01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[158]=RBDIHS, rbcA[0]= 1.57025500e+01, rbcA[1]= 3.17565600e+01, rbcA[2]=-3.66936000e+00, rbcA[3]=-4.37897500e+01, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 1.57025500e+01, rbcB[1]= 3.17565600e+01, rbcB[2]=-3.66936000e+00, rbcB[3]=-4.37897500e+01, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[159]=RBDIHS, rbcA[0]=-1.03574900e+01, rbcA[1]=-2.95871600e+01, rbcA[2]=-1.16734000e+00, rbcA[3]= 4.11119900e+01, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-1.03574900e+01, rbcB[1]=-2.95871600e+01, rbcB[2]=-1.16734000e+00, rbcB[3]= 4.11119900e+01, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[160]=RBDIHS, rbcA[0]= 4.50199000e+00, rbcA[1]= 7.82410000e-01, rbcA[2]=-1.60247000e+00, rbcA[3]=-3.68192000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 4.50199000e+00, rbcB[1]= 7.82410000e-01, rbcB[2]=-1.60247000e+00, rbcB[3]=-3.68192000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[161]=RBDIHS, rbcA[0]= 4.22590000e-01, rbcA[1]= 2.70705000e+00, rbcA[2]=-3.12964000e+00, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 4.22590000e-01, rbcB[1]= 2.70705000e+00, rbcB[2]=-3.12964000e+00, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[162]=RBDIHS, rbcA[0]=-7.65670000e-01, rbcA[1]= 2.70705000e+00, rbcA[2]= 4.02501000e+00, rbcA[3]=-5.96639000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-7.65670000e-01, rbcB[1]= 2.70705000e+00, rbcB[2]= 4.02501000e+00, rbcB[3]=-5.96639000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[163]=RBDIHS, rbcA[0]= 9.66500000e-01, rbcA[1]= 2.89951000e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-3.86601000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 9.66500000e-01, rbcB[1]= 2.89951000e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-3.86601000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[164]=RBDIHS, rbcA[0]=-4.23421000e+00, rbcA[1]= 7.22159000e+00, rbcA[2]= 1.90790000e+00, rbcA[3]=-4.89528000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-4.23421000e+00, rbcB[1]= 7.22159000e+00, rbcB[2]= 1.90790000e+00, rbcB[3]=-4.89528000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[165]=RBDIHS, rbcA[0]= 3.03340000e+01, rbcA[1]= 0.00000000e+00, rbcA[2]=-3.03340000e+01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.03340000e+01, rbcB[1]= 0.00000000e+00, rbcB[2]=-3.03340000e+01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[166]=RBDIHS, rbcA[0]= 1.02319700e+01, rbcA[1]= 3.52083000e+00, rbcA[2]=-3.97899000e+00, rbcA[3]=-9.77382000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 1.02319700e+01, rbcB[1]= 3.52083000e+00, rbcB[2]=-3.97899000e+00, rbcB[3]=-9.77382000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[167]=RBDIHS, rbcA[0]= 5.49778000e+00, rbcA[1]= 1.41838000e+00, rbcA[2]=-6.91615000e+00, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 5.49778000e+00, rbcB[1]= 1.41838000e+00, rbcB[2]=-6.91615000e+00, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[168]=RBDIHS, rbcA[0]=-1.21755000e+00, rbcA[1]=-3.65264000e+00, rbcA[2]= 0.00000000e+00, rbcA[3]= 4.87018000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-1.21755000e+00, rbcB[1]=-3.65264000e+00, rbcB[2]= 0.00000000e+00, rbcB[3]= 4.87018000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[169]=RBDIHS, rbcA[0]=-1.26775000e+00, rbcA[1]= 3.02085000e+00, rbcA[2]= 1.74473000e+00, rbcA[3]=-3.49782000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-1.26775000e+00, rbcB[1]= 3.02085000e+00, rbcB[2]= 1.74473000e+00, rbcB[3]=-3.49782000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[170]=RBDIHS, rbcA[0]= 3.80117000e+00, rbcA[1]=-6.95172000e+00, rbcA[2]=-1.01671000e+00, rbcA[3]= 4.16726000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.80117000e+00, rbcB[1]=-6.95172000e+00, rbcB[2]=-1.01671000e+00, rbcB[3]= 4.16726000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[171]=RBDIHS, rbcA[0]= 3.70280000e-01, rbcA[1]= 1.11086000e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-1.48114000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.70280000e-01, rbcB[1]= 1.11086000e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-1.48114000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[172]=RBDIHS, rbcA[0]= 3.32042200e+01, rbcA[1]= 0.00000000e+00, rbcA[2]=-3.32042200e+01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.32042200e+01, rbcB[1]= 0.00000000e+00, rbcB[2]=-3.32042200e+01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[173]=RBDIHS, rbcA[0]= 1.63176000e+01, rbcA[1]= 0.00000000e+00, rbcA[2]=-1.63176000e+01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 1.63176000e+01, rbcB[1]= 0.00000000e+00, rbcB[2]=-1.63176000e+01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[174]=RBDIHS, rbcA[0]= 3.40787000e+00, rbcA[1]=-2.80537000e+00, rbcA[2]=-3.59820000e-01, rbcA[3]=-2.42670000e-01, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.40787000e+00, rbcB[1]=-2.80537000e+00, rbcB[2]=-3.59820000e-01, rbcB[3]=-2.42670000e-01, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[175]=RBDIHS, rbcA[0]=-1.62590200e+01, rbcA[1]= 9.08765000e+00, rbcA[2]= 7.17138000e+00, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-1.62590200e+01, rbcB[1]= 9.08765000e+00, rbcB[2]= 7.17138000e+00, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[176]=RBDIHS, rbcA[0]= 9.45590000e-01, rbcA[1]= 2.83675000e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-3.78234000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 9.45590000e-01, rbcB[1]= 2.83675000e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-3.78234000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[177]=RBDIHS, rbcA[0]=-1.50624000e+00, rbcA[1]= 5.37225000e+00, rbcA[2]= 1.17989000e+00, rbcA[3]=-5.04590000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-1.50624000e+00, rbcB[1]= 5.37225000e+00, rbcB[2]= 1.17989000e+00, rbcB[3]=-5.04590000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[178]=RBDIHS, rbcA[0]= 1.00416000e+00, rbcA[1]= 3.01248000e+00, rbcA[2]= 0.00000000e+00, rbcA[3]=-4.01664000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 1.00416000e+00, rbcB[1]= 3.01248000e+00, rbcB[2]= 0.00000000e+00, rbcB[3]=-4.01664000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[179]=RBDIHS, rbcA[0]= 8.79268000e+00, rbcA[1]=-1.18344400e+01, rbcA[2]= 1.07529000e+00, rbcA[3]= 1.96648000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 8.79268000e+00, rbcB[1]=-1.18344400e+01, rbcB[2]= 1.07529000e+00, rbcB[3]= 1.96648000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[180]=RBDIHS, rbcA[0]=-5.77392000e+00, rbcA[1]= 3.38485000e+00, rbcA[2]= 2.38906000e+00, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-5.77392000e+00, rbcB[1]= 3.38485000e+00, rbcB[2]= 2.38906000e+00, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[181]=RBDIHS, rbcA[0]=-9.08346000e+00, rbcA[1]= 9.75709000e+00, rbcA[2]= 3.45180000e+00, rbcA[3]=-4.12542000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-9.08346000e+00, rbcB[1]= 9.75709000e+00, rbcB[2]= 3.45180000e+00, rbcB[3]=-4.12542000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[182]=RBDIHS, rbcA[0]=-4.70700000e-01, rbcA[1]=-1.41210000e+00, rbcA[2]= 0.00000000e+00, rbcA[3]= 1.88280000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-4.70700000e-01, rbcB[1]=-1.41210000e+00, rbcB[2]= 0.00000000e+00, rbcB[3]= 1.88280000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[183]=RBDIHS, rbcA[0]= 3.43088000e+00, rbcA[1]= 0.00000000e+00, rbcA[2]=-3.43088000e+00, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 3.43088000e+00, rbcB[1]= 0.00000000e+00, rbcB[2]=-3.43088000e+00, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[184]=RBDIHS, rbcA[0]= 2.57316000e+00, rbcA[1]= 3.49782000e+00, rbcA[2]=-1.10039000e+00, rbcA[3]=-4.97059000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]= 2.57316000e+00, rbcB[1]= 3.49782000e+00, rbcB[2]=-1.10039000e+00, rbcB[3]=-4.97059000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[185]=RBDIHS, rbcA[0]=-8.22160000e-01, rbcA[1]= 1.12759000e+00, rbcA[2]=-3.05440000e-01, rbcA[3]= 0.00000000e+00, rbcA[4]= 0.00000000e+00, rbcA[5]= 0.00000000e+00 39: rbcB[0]=-8.22160000e-01, rbcB[1]= 1.12759000e+00, rbcB[2]=-3.05440000e-01, rbcB[3]= 0.00000000e+00, rbcB[4]= 0.00000000e+00, rbcB[5]= 0.00000000e+00 39: functype[186]=LJ14, c6A= 3.20536041e-04, c12A= 1.71928145e-07, c6B= 3.20536041e-04, c12B= 1.71928145e-07 39: functype[187]=LJ14, c6A= 1.30458481e-03, c12A= 1.92011187e-06, c6B= 1.30458481e-03, c12B= 1.92011187e-06 39: functype[188]=LJ14, c6A= 1.40760563e-03, c12A= 1.25315910e-06, c6B= 1.40760563e-03, c12B= 1.25315910e-06 39: functype[189]=LJ14, c6A= 1.67637339e-03, c12A= 1.97547221e-06, c6B= 1.67637339e-03, c12B= 1.97547221e-06 39: functype[190]=LJ14, c6A= 0.00000000e+00, c12A= 0.00000000e+00, c6B= 0.00000000e+00, c12B= 0.00000000e+00 39: functype[191]=LJ14, c6A= 2.49447081e-04, c12A= 1.67110056e-07, c6B= 2.49447081e-04, c12B= 1.67110056e-07 39: functype[192]=LJ14, c6A= 1.01525205e-03, c12A= 1.86630294e-06, c6B= 1.01525205e-03, c12B= 1.86630294e-06 39: functype[193]=LJ14, c6A= 6.12890625e-05, c12A= 1.49631500e-08, c6B= 6.12890625e-05, c12B= 1.49631500e-08 39: functype[194]=LJ14, c6A= 2.69145489e-04, c12A= 1.09064212e-07, c6B= 2.69145489e-04, c12B= 1.09064212e-07 39: functype[195]=LJ14, c6A= 1.09542476e-03, c12A= 1.21804075e-06, c6B= 1.09542476e-03, c12B= 1.21804075e-06 39: functype[196]=LJ14, c6A= 3.86982011e-04, c12A= 3.18863352e-07, c6B= 3.86982011e-04, c12B= 3.18863352e-07 39: functype[197]=LJ14, c6A= 1.57502055e-03, c12A= 3.56109993e-06, c6B= 1.57502055e-03, c12B= 3.56109993e-06 39: functype[198]=LJ14, c6A= 2.44342255e-03, c12A= 6.79494872e-06, c6B= 2.44342255e-03, c12B= 6.79494872e-06 39: functype[199]=LJ14, c6A= 1.40194280e-03, c12A= 2.15310613e-06, c6B= 1.40194280e-03, c12B= 2.15310613e-06 39: functype[200]=LJ14, c6A= 1.09101784e-03, c12A= 2.09276780e-06, c6B= 1.09101784e-03, c12B= 2.09276780e-06 39: functype[201]=LJ14, c6A= 2.68062710e-04, c12A= 1.87387876e-07, c6B= 2.68062710e-04, c12B= 1.87387876e-07 39: functype[202]=LJ14, c6A= 2.26258289e-04, c12A= 1.37484813e-07, c6B= 2.26258289e-04, c12B= 1.37484813e-07 39: functype[203]=LJ14, c6A= 2.43143395e-04, c12A= 1.54167785e-07, c6B= 2.43143395e-04, c12B= 1.54167785e-07 39: functype[204]=LJ14, c6A= 1.17243785e-03, c12A= 2.34671283e-06, c6B= 1.17243785e-03, c12B= 2.34671283e-06 39: functype[205]=LJ14, c6A= 1.69256051e-03, c12A= 3.99321842e-06, c6B= 1.69256051e-03, c12B= 3.99321842e-06 39: functype[206]=LJ14, c6A= 5.04237478e-05, c12A= 1.01280845e-08, c6B= 5.04237478e-05, c12B= 1.01280845e-08 39: functype[207]=LJ14, c6A= 2.34763367e-04, c12A= 1.14652101e-07, c6B= 2.34763367e-04, c12B= 1.14652101e-07 39: functype[208]=LJ14, c6A= 5.76812790e-05, c12A= 1.02660284e-08, c6B= 5.76812790e-05, c12B= 1.02660284e-08 39: functype[209]=LJ14, c6A= 3.60245183e-03, c12A= 5.76973368e-06, c6B= 3.60245183e-03, c12B= 5.76973368e-06 39: functype[210]=LJ14, c6A= 6.88817690e-04, c12A= 5.02148096e-07, c6B= 6.88817690e-04, c12B= 5.02148096e-07 39: functype[211]=LJ14, c6A= 4.34922716e-03, c12A= 1.07007298e-05, c6B= 4.34922716e-03, c12B= 1.07007298e-05 39: reppow = 12 39: fudgeQQ = 0.5 39: cmap 39: atomtypes: 39: atomtype[ 0]={atomnumber= 7} 39: atomtype[ 1]={atomnumber= 1} 39: atomtype[ 2]={atomnumber= 6} 39: atomtype[ 3]={atomnumber= 1} 39: atomtype[ 4]={atomnumber= 6} 39: atomtype[ 5]={atomnumber= 8} 39: atomtype[ 6]={atomnumber= 6} 39: atomtype[ 7]={atomnumber= 1} 39: atomtype[ 8]={atomnumber= 6} 39: atomtype[ 9]={atomnumber= 16} 39: moltype (0): 39: name="Protein_chain_B" 39: atoms: 39: atom (156): 39: atom[ 0]={type= 0, typeB= 0, ptype= Atom, m= 1.40027e+01, q=-3.00000e-01, mB= 1.40027e+01, qB=-3.00000e-01, resind= 0, atomnumber= 7} 39: atom[ 1]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.30000e-01, mB= 1.00800e+00, qB= 3.30000e-01, resind= 0, atomnumber= 1} 39: atom[ 2]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.30000e-01, mB= 1.00800e+00, qB= 3.30000e-01, resind= 0, atomnumber= 1} 39: atom[ 3]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.30000e-01, mB= 1.00800e+00, qB= 3.30000e-01, resind= 0, atomnumber= 1} 39: atom[ 4]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 2.50000e-01, mB= 1.20110e+01, qB= 2.50000e-01, resind= 0, atomnumber= 6} 39: atom[ 5]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 6]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.20000e-01, mB= 1.20110e+01, qB=-1.20000e-01, resind= 0, atomnumber= 6} 39: atom[ 7]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 8]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 9]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.20000e-01, mB= 1.20110e+01, qB=-1.20000e-01, resind= 0, atomnumber= 6} 39: atom[ 10]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 11]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 12]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.20000e-01, mB= 1.20110e+01, qB=-1.20000e-01, resind= 0, atomnumber= 6} 39: atom[ 13]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 14]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 15]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.90000e-01, mB= 1.20110e+01, qB= 1.90000e-01, resind= 0, atomnumber= 6} 39: atom[ 16]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 17]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 0, atomnumber= 1} 39: atom[ 18]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-3.00000e-01, mB= 1.40067e+01, qB=-3.00000e-01, resind= 0, atomnumber= 7} 39: atom[ 19]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.30000e-01, mB= 1.00800e+00, qB= 3.30000e-01, resind= 0, atomnumber= 1} 39: atom[ 20]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.30000e-01, mB= 1.00800e+00, qB= 3.30000e-01, resind= 0, atomnumber= 1} 39: atom[ 21]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.30000e-01, mB= 1.00800e+00, qB= 3.30000e-01, resind= 0, atomnumber= 1} 39: atom[ 22]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 0, atomnumber= 6} 39: atom[ 23]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 0, atomnumber= 8} 39: atom[ 24]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 1, atomnumber= 7} 39: atom[ 25]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 1, atomnumber= 1} 39: atom[ 26]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 1, atomnumber= 6} 39: atom[ 27]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 28]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-6.00000e-02, mB= 1.20110e+01, qB=-6.00000e-02, resind= 1, atomnumber= 6} 39: atom[ 29]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 30]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.80000e-01, mB= 1.20110e+01, qB=-1.80000e-01, resind= 1, atomnumber= 6} 39: atom[ 31]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 32]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 33]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 34]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.80000e-01, mB= 1.20110e+01, qB=-1.80000e-01, resind= 1, atomnumber= 6} 39: atom[ 35]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 36]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 37]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 1, atomnumber= 1} 39: atom[ 38]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 1, atomnumber= 6} 39: atom[ 39]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 1, atomnumber= 8} 39: atom[ 40]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 2, atomnumber= 7} 39: atom[ 41]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 2, atomnumber= 1} 39: atom[ 42]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 2, atomnumber= 6} 39: atom[ 43]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 2, atomnumber= 1} 39: atom[ 44]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-5.00000e-03, mB= 1.20110e+01, qB=-5.00000e-03, resind= 2, atomnumber= 6} 39: atom[ 45]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 2, atomnumber= 1} 39: atom[ 46]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 2, atomnumber= 1} 39: atom[ 47]={type= 6, typeB= 6, ptype= Atom, m= 1.20110e+01, q=-1.15000e-01, mB= 1.20110e+01, qB=-1.15000e-01, resind= 2, atomnumber= 6} 39: atom[ 48]={type= 6, typeB= 6, ptype= Atom, m= 1.20110e+01, q=-1.15000e-01, mB= 1.20110e+01, qB=-1.15000e-01, resind= 2, atomnumber= 6} 39: atom[ 49]={type= 7, typeB= 7, ptype= Atom, m= 1.00800e+00, q= 1.15000e-01, mB= 1.00800e+00, qB= 1.15000e-01, resind= 2, atomnumber= 1} 39: atom[ 50]={type= 6, typeB= 6, ptype= Atom, m= 1.20110e+01, q=-1.15000e-01, mB= 1.20110e+01, qB=-1.15000e-01, resind= 2, atomnumber= 6} 39: atom[ 51]={type= 7, typeB= 7, ptype= Atom, m= 1.00800e+00, q= 1.15000e-01, mB= 1.00800e+00, qB= 1.15000e-01, resind= 2, atomnumber= 1} 39: atom[ 52]={type= 6, typeB= 6, ptype= Atom, m= 1.20110e+01, q=-1.15000e-01, mB= 1.20110e+01, qB=-1.15000e-01, resind= 2, atomnumber= 6} 39: atom[ 53]={type= 7, typeB= 7, ptype= Atom, m= 1.00800e+00, q= 1.15000e-01, mB= 1.00800e+00, qB= 1.15000e-01, resind= 2, atomnumber= 1} 39: atom[ 54]={type= 6, typeB= 6, ptype= Atom, m= 1.20110e+01, q=-1.15000e-01, mB= 1.20110e+01, qB=-1.15000e-01, resind= 2, atomnumber= 6} 39: atom[ 55]={type= 7, typeB= 7, ptype= Atom, m= 1.00800e+00, q= 1.15000e-01, mB= 1.00800e+00, qB= 1.15000e-01, resind= 2, atomnumber= 1} 39: atom[ 56]={type= 6, typeB= 6, ptype= Atom, m= 1.20110e+01, q=-1.15000e-01, mB= 1.20110e+01, qB=-1.15000e-01, resind= 2, atomnumber= 6} 39: atom[ 57]={type= 7, typeB= 7, ptype= Atom, m= 1.00800e+00, q= 1.15000e-01, mB= 1.00800e+00, qB= 1.15000e-01, resind= 2, atomnumber= 1} 39: atom[ 58]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 2, atomnumber= 6} 39: atom[ 59]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 2, atomnumber= 8} 39: atom[ 60]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 3, atomnumber= 7} 39: atom[ 61]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 3, atomnumber= 1} 39: atom[ 62]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 8.00000e-02, mB= 1.20110e+01, qB= 8.00000e-02, resind= 3, atomnumber= 6} 39: atom[ 63]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 3, atomnumber= 1} 39: atom[ 64]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 3, atomnumber= 1} 39: atom[ 65]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 3, atomnumber= 6} 39: atom[ 66]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 3, atomnumber= 8} 39: atom[ 67]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 4, atomnumber= 7} 39: atom[ 68]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 4, atomnumber= 1} 39: atom[ 69]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 4, atomnumber= 6} 39: atom[ 70]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 71]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.20000e-01, mB= 1.20110e+01, qB=-1.20000e-01, resind= 4, atomnumber= 6} 39: atom[ 72]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 73]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 74]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-5.00000e-02, mB= 1.20110e+01, qB=-5.00000e-02, resind= 4, atomnumber= 6} 39: atom[ 75]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 76]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 77]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.90000e-01, mB= 1.20110e+01, qB= 1.90000e-01, resind= 4, atomnumber= 6} 39: atom[ 78]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 79]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 4, atomnumber= 1} 39: atom[ 80]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-7.00000e-01, mB= 1.40067e+01, qB=-7.00000e-01, resind= 4, atomnumber= 7} 39: atom[ 81]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 4.40000e-01, mB= 1.00800e+00, qB= 4.40000e-01, resind= 4, atomnumber= 1} 39: atom[ 82]={type= 8, typeB= 8, ptype= Atom, m= 1.20110e+01, q= 6.40000e-01, mB= 1.20110e+01, qB= 6.40000e-01, resind= 4, atomnumber= 6} 39: atom[ 83]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-8.00000e-01, mB= 1.40067e+01, qB=-8.00000e-01, resind= 4, atomnumber= 7} 39: atom[ 84]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 4.60000e-01, mB= 1.00800e+00, qB= 4.60000e-01, resind= 4, atomnumber= 1} 39: atom[ 85]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 4.60000e-01, mB= 1.00800e+00, qB= 4.60000e-01, resind= 4, atomnumber= 1} 39: atom[ 86]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-8.00000e-01, mB= 1.40067e+01, qB=-8.00000e-01, resind= 4, atomnumber= 7} 39: atom[ 87]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 4.60000e-01, mB= 1.00800e+00, qB= 4.60000e-01, resind= 4, atomnumber= 1} 39: atom[ 88]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 4.60000e-01, mB= 1.00800e+00, qB= 4.60000e-01, resind= 4, atomnumber= 1} 39: atom[ 89]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 4, atomnumber= 6} 39: atom[ 90]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 4, atomnumber= 8} 39: atom[ 91]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 5, atomnumber= 7} 39: atom[ 92]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 5, atomnumber= 1} 39: atom[ 93]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 5, atomnumber= 6} 39: atom[ 94]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 5, atomnumber= 1} 39: atom[ 95]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 6.00000e-02, mB= 1.20110e+01, qB= 6.00000e-02, resind= 5, atomnumber= 6} 39: atom[ 96]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 5, atomnumber= 1} 39: atom[ 97]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 5, atomnumber= 1} 39: atom[ 98]={type= 9, typeB= 9, ptype= Atom, m= 3.20600e+01, q=-3.35000e-01, mB= 3.20600e+01, qB=-3.35000e-01, resind= 5, atomnumber= 16} 39: atom[ 99]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 1.55000e-01, mB= 1.00800e+00, qB= 1.55000e-01, resind= 5, atomnumber= 1} 39: atom[ 100]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 5, atomnumber= 6} 39: atom[ 101]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 5, atomnumber= 8} 39: atom[ 102]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 6, atomnumber= 7} 39: atom[ 103]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 6, atomnumber= 1} 39: atom[ 104]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 6, atomnumber= 6} 39: atom[ 105]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 6, atomnumber= 1} 39: atom[ 106]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.20000e-01, mB= 1.20110e+01, qB=-1.20000e-01, resind= 6, atomnumber= 6} 39: atom[ 107]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 6, atomnumber= 1} 39: atom[ 108]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 6, atomnumber= 1} 39: atom[ 109]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-2.20000e-01, mB= 1.20110e+01, qB=-2.20000e-01, resind= 6, atomnumber= 6} 39: atom[ 110]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 6, atomnumber= 1} 39: atom[ 111]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 6, atomnumber= 1} 39: atom[ 112]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 7.00000e-01, mB= 1.20110e+01, qB= 7.00000e-01, resind= 6, atomnumber= 6} 39: atom[ 113]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-8.00000e-01, mB= 1.59994e+01, qB=-8.00000e-01, resind= 6, atomnumber= 8} 39: atom[ 114]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-8.00000e-01, mB= 1.59994e+01, qB=-8.00000e-01, resind= 6, atomnumber= 8} 39: atom[ 115]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 6, atomnumber= 6} 39: atom[ 116]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 6, atomnumber= 8} 39: atom[ 117]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 7, atomnumber= 7} 39: atom[ 118]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 7, atomnumber= 1} 39: atom[ 119]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 7, atomnumber= 6} 39: atom[ 120]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 121]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.20000e-01, mB= 1.20110e+01, qB=-1.20000e-01, resind= 7, atomnumber= 6} 39: atom[ 122]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 123]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 124]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-6.00000e-02, mB= 1.20110e+01, qB=-6.00000e-02, resind= 7, atomnumber= 6} 39: atom[ 125]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 126]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.80000e-01, mB= 1.20110e+01, qB=-1.80000e-01, resind= 7, atomnumber= 6} 39: atom[ 127]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 128]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 129]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 130]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.80000e-01, mB= 1.20110e+01, qB=-1.80000e-01, resind= 7, atomnumber= 6} 39: atom[ 131]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 132]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 133]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 7, atomnumber= 1} 39: atom[ 134]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 7, atomnumber= 6} 39: atom[ 135]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 7, atomnumber= 8} 39: atom[ 136]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 8, atomnumber= 7} 39: atom[ 137]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 8, atomnumber= 1} 39: atom[ 138]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 8, atomnumber= 6} 39: atom[ 139]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 8, atomnumber= 1} 39: atom[ 140]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.80000e-01, mB= 1.20110e+01, qB=-1.80000e-01, resind= 8, atomnumber= 6} 39: atom[ 141]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 8, atomnumber= 1} 39: atom[ 142]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 8, atomnumber= 1} 39: atom[ 143]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 8, atomnumber= 1} 39: atom[ 144]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 8, atomnumber= 6} 39: atom[ 145]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 8, atomnumber= 8} 39: atom[ 146]={type= 0, typeB= 0, ptype= Atom, m= 1.40067e+01, q=-5.00000e-01, mB= 1.40067e+01, qB=-5.00000e-01, resind= 9, atomnumber= 7} 39: atom[ 147]={type= 1, typeB= 1, ptype= Atom, m= 1.00800e+00, q= 3.00000e-01, mB= 1.00800e+00, qB= 3.00000e-01, resind= 9, atomnumber= 1} 39: atom[ 148]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q= 1.40000e-01, mB= 1.20110e+01, qB= 1.40000e-01, resind= 9, atomnumber= 6} 39: atom[ 149]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 9, atomnumber= 1} 39: atom[ 150]={type= 2, typeB= 2, ptype= Atom, m= 1.20110e+01, q=-1.80000e-01, mB= 1.20110e+01, qB=-1.80000e-01, resind= 9, atomnumber= 6} 39: atom[ 151]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 9, atomnumber= 1} 39: atom[ 152]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 9, atomnumber= 1} 39: atom[ 153]={type= 3, typeB= 3, ptype= Atom, m= 1.00800e+00, q= 6.00000e-02, mB= 1.00800e+00, qB= 6.00000e-02, resind= 9, atomnumber= 1} 39: atom[ 154]={type= 4, typeB= 4, ptype= Atom, m= 1.20110e+01, q= 5.00000e-01, mB= 1.20110e+01, qB= 5.00000e-01, resind= 9, atomnumber= 6} 39: atom[ 155]={type= 5, typeB= 5, ptype= Atom, m= 1.59994e+01, q=-5.00000e-01, mB= 1.59994e+01, qB=-5.00000e-01, resind= 9, atomnumber= 8} 39: atom (156): 39: atom[0]={name="N"} 39: atom[1]={name="H1"} 39: atom[2]={name="H2"} 39: atom[3]={name="H3"} 39: atom[4]={name="CA"} 39: atom[5]={name="HA"} 39: atom[6]={name="CB"} 39: atom[7]={name="HB1"} 39: atom[8]={name="HB2"} 39: atom[9]={name="CG"} 39: atom[10]={name="HG1"} 39: atom[11]={name="HG2"} 39: atom[12]={name="CD"} 39: atom[13]={name="HD1"} 39: atom[14]={name="HD2"} 39: atom[15]={name="CE"} 39: atom[16]={name="HE1"} 39: atom[17]={name="HE2"} 39: atom[18]={name="NZ"} 39: atom[19]={name="HZ1"} 39: atom[20]={name="HZ2"} 39: atom[21]={name="HZ3"} 39: atom[22]={name="C"} 39: atom[23]={name="O"} 39: atom[24]={name="N"} 39: atom[25]={name="H"} 39: atom[26]={name="CA"} 39: atom[27]={name="HA"} 39: atom[28]={name="CB"} 39: atom[29]={name="HB"} 39: atom[30]={name="CG1"} 39: atom[31]={name="HG11"} 39: atom[32]={name="HG12"} 39: atom[33]={name="HG13"} 39: atom[34]={name="CG2"} 39: atom[35]={name="HG21"} 39: atom[36]={name="HG22"} 39: atom[37]={name="HG23"} 39: atom[38]={name="C"} 39: atom[39]={name="O"} 39: atom[40]={name="N"} 39: atom[41]={name="H"} 39: atom[42]={name="CA"} 39: atom[43]={name="HA"} 39: atom[44]={name="CB"} 39: atom[45]={name="HB1"} 39: atom[46]={name="HB2"} 39: atom[47]={name="CG"} 39: atom[48]={name="CD1"} 39: atom[49]={name="HD1"} 39: atom[50]={name="CD2"} 39: atom[51]={name="HD2"} 39: atom[52]={name="CE1"} 39: atom[53]={name="HE1"} 39: atom[54]={name="CE2"} 39: atom[55]={name="HE2"} 39: atom[56]={name="CZ"} 39: atom[57]={name="HZ"} 39: atom[58]={name="C"} 39: atom[59]={name="O"} 39: atom[60]={name="N"} 39: atom[61]={name="H"} 39: atom[62]={name="CA"} 39: atom[63]={name="HA1"} 39: atom[64]={name="HA2"} 39: atom[65]={name="C"} 39: atom[66]={name="O"} 39: atom[67]={name="N"} 39: atom[68]={name="H"} 39: atom[69]={name="CA"} 39: atom[70]={name="HA"} 39: atom[71]={name="CB"} 39: atom[72]={name="HB1"} 39: atom[73]={name="HB2"} 39: atom[74]={name="CG"} 39: atom[75]={name="HG1"} 39: atom[76]={name="HG2"} 39: atom[77]={name="CD"} 39: atom[78]={name="HD1"} 39: atom[79]={name="HD2"} 39: atom[80]={name="NE"} 39: atom[81]={name="HE"} 39: atom[82]={name="CZ"} 39: atom[83]={name="NH1"} 39: atom[84]={name="HH11"} 39: atom[85]={name="HH12"} 39: atom[86]={name="NH2"} 39: atom[87]={name="HH21"} 39: atom[88]={name="HH22"} 39: atom[89]={name="C"} 39: atom[90]={name="O"} 39: atom[91]={name="N"} 39: atom[92]={name="H"} 39: atom[93]={name="CA"} 39: atom[94]={name="HA"} 39: atom[95]={name="CB"} 39: atom[96]={name="HB1"} 39: atom[97]={name="HB2"} 39: atom[98]={name="SG"} 39: atom[99]={name="HG"} 39: atom[100]={name="C"} 39: atom[101]={name="O"} 39: atom[102]={name="N"} 39: atom[103]={name="H"} 39: atom[104]={name="CA"} 39: atom[105]={name="HA"} 39: atom[106]={name="CB"} 39: atom[107]={name="HB1"} 39: atom[108]={name="HB2"} 39: atom[109]={name="CG"} 39: atom[110]={name="HG1"} 39: atom[111]={name="HG2"} 39: atom[112]={name="CD"} 39: atom[113]={name="OE1"} 39: atom[114]={name="OE2"} 39: atom[115]={name="C"} 39: atom[116]={name="O"} 39: atom[117]={name="N"} 39: atom[118]={name="H"} 39: atom[119]={name="CA"} 39: atom[120]={name="HA"} 39: atom[121]={name="CB"} 39: atom[122]={name="HB1"} 39: atom[123]={name="HB2"} 39: atom[124]={name="CG"} 39: atom[125]={name="HG"} 39: atom[126]={name="CD1"} 39: atom[127]={name="HD11"} 39: atom[128]={name="HD12"} 39: atom[129]={name="HD13"} 39: atom[130]={name="CD2"} 39: atom[131]={name="HD21"} 39: atom[132]={name="HD22"} 39: atom[133]={name="HD23"} 39: atom[134]={name="C"} 39: atom[135]={name="O"} 39: atom[136]={name="N"} 39: atom[137]={name="H"} 39: atom[138]={name="CA"} 39: atom[139]={name="HA"} 39: atom[140]={name="CB"} 39: atom[141]={name="HB1"} 39: atom[142]={name="HB2"} 39: atom[143]={name="HB3"} 39: atom[144]={name="C"} 39: atom[145]={name="O"} 39: atom[146]={name="N"} 39: atom[147]={name="H"} 39: atom[148]={name="CA"} 39: atom[149]={name="HA"} 39: atom[150]={name="CB"} 39: atom[151]={name="HB1"} 39: atom[152]={name="HB2"} 39: atom[153]={name="HB3"} 39: atom[154]={name="C"} 39: atom[155]={name="O"} 39: type (156): 39: type[0]={name="opls_287",nameB="opls_287"} 39: type[1]={name="opls_290",nameB="opls_290"} 39: type[2]={name="opls_290",nameB="opls_290"} 39: type[3]={name="opls_290",nameB="opls_290"} 39: type[4]={name="opls_293B",nameB="opls_293B"} 39: type[5]={name="opls_140",nameB="opls_140"} 39: type[6]={name="opls_136",nameB="opls_136"} 39: type[7]={name="opls_140",nameB="opls_140"} 39: type[8]={name="opls_140",nameB="opls_140"} 39: type[9]={name="opls_136",nameB="opls_136"} 39: type[10]={name="opls_140",nameB="opls_140"} 39: type[11]={name="opls_140",nameB="opls_140"} 39: type[12]={name="opls_136",nameB="opls_136"} 39: type[13]={name="opls_140",nameB="opls_140"} 39: type[14]={name="opls_140",nameB="opls_140"} 39: type[15]={name="opls_292",nameB="opls_292"} 39: type[16]={name="opls_140",nameB="opls_140"} 39: type[17]={name="opls_140",nameB="opls_140"} 39: type[18]={name="opls_287",nameB="opls_287"} 39: type[19]={name="opls_290",nameB="opls_290"} 39: type[20]={name="opls_290",nameB="opls_290"} 39: type[21]={name="opls_290",nameB="opls_290"} 39: type[22]={name="opls_235",nameB="opls_235"} 39: type[23]={name="opls_236",nameB="opls_236"} 39: type[24]={name="opls_238",nameB="opls_238"} 39: type[25]={name="opls_241",nameB="opls_241"} 39: type[26]={name="opls_224B",nameB="opls_224B"} 39: type[27]={name="opls_140",nameB="opls_140"} 39: type[28]={name="opls_137",nameB="opls_137"} 39: type[29]={name="opls_140",nameB="opls_140"} 39: type[30]={name="opls_135",nameB="opls_135"} 39: type[31]={name="opls_140",nameB="opls_140"} 39: type[32]={name="opls_140",nameB="opls_140"} 39: type[33]={name="opls_140",nameB="opls_140"} 39: type[34]={name="opls_135",nameB="opls_135"} 39: type[35]={name="opls_140",nameB="opls_140"} 39: type[36]={name="opls_140",nameB="opls_140"} 39: type[37]={name="opls_140",nameB="opls_140"} 39: type[38]={name="opls_235",nameB="opls_235"} 39: type[39]={name="opls_236",nameB="opls_236"} 39: type[40]={name="opls_238",nameB="opls_238"} 39: type[41]={name="opls_241",nameB="opls_241"} 39: type[42]={name="opls_224B",nameB="opls_224B"} 39: type[43]={name="opls_140",nameB="opls_140"} 39: type[44]={name="opls_149",nameB="opls_149"} 39: type[45]={name="opls_140",nameB="opls_140"} 39: type[46]={name="opls_140",nameB="opls_140"} 39: type[47]={name="opls_145",nameB="opls_145"} 39: type[48]={name="opls_145",nameB="opls_145"} 39: type[49]={name="opls_146",nameB="opls_146"} 39: type[50]={name="opls_145",nameB="opls_145"} 39: type[51]={name="opls_146",nameB="opls_146"} 39: type[52]={name="opls_145",nameB="opls_145"} 39: type[53]={name="opls_146",nameB="opls_146"} 39: type[54]={name="opls_145",nameB="opls_145"} 39: type[55]={name="opls_146",nameB="opls_146"} 39: type[56]={name="opls_145",nameB="opls_145"} 39: type[57]={name="opls_146",nameB="opls_146"} 39: type[58]={name="opls_235",nameB="opls_235"} 39: type[59]={name="opls_236",nameB="opls_236"} 39: type[60]={name="opls_238",nameB="opls_238"} 39: type[61]={name="opls_241",nameB="opls_241"} 39: type[62]={name="opls_223B",nameB="opls_223B"} 39: type[63]={name="opls_140",nameB="opls_140"} 39: type[64]={name="opls_140",nameB="opls_140"} 39: type[65]={name="opls_235",nameB="opls_235"} 39: type[66]={name="opls_236",nameB="opls_236"} 39: type[67]={name="opls_238",nameB="opls_238"} 39: type[68]={name="opls_241",nameB="opls_241"} 39: type[69]={name="opls_224B",nameB="opls_224B"} 39: type[70]={name="opls_140",nameB="opls_140"} 39: type[71]={name="opls_136",nameB="opls_136"} 39: type[72]={name="opls_140",nameB="opls_140"} 39: type[73]={name="opls_140",nameB="opls_140"} 39: type[74]={name="opls_308",nameB="opls_308"} 39: type[75]={name="opls_140",nameB="opls_140"} 39: type[76]={name="opls_140",nameB="opls_140"} 39: type[77]={name="opls_307",nameB="opls_307"} 39: type[78]={name="opls_140",nameB="opls_140"} 39: type[79]={name="opls_140",nameB="opls_140"} 39: type[80]={name="opls_303",nameB="opls_303"} 39: type[81]={name="opls_304",nameB="opls_304"} 39: type[82]={name="opls_302",nameB="opls_302"} 39: type[83]={name="opls_300",nameB="opls_300"} 39: type[84]={name="opls_301",nameB="opls_301"} 39: type[85]={name="opls_301",nameB="opls_301"} 39: type[86]={name="opls_300",nameB="opls_300"} 39: type[87]={name="opls_301",nameB="opls_301"} 39: type[88]={name="opls_301",nameB="opls_301"} 39: type[89]={name="opls_235",nameB="opls_235"} 39: type[90]={name="opls_236",nameB="opls_236"} 39: type[91]={name="opls_238",nameB="opls_238"} 39: type[92]={name="opls_241",nameB="opls_241"} 39: type[93]={name="opls_224B",nameB="opls_224B"} 39: type[94]={name="opls_140",nameB="opls_140"} 39: type[95]={name="opls_206",nameB="opls_206"} 39: type[96]={name="opls_140",nameB="opls_140"} 39: type[97]={name="opls_140",nameB="opls_140"} 39: type[98]={name="opls_200",nameB="opls_200"} 39: type[99]={name="opls_204",nameB="opls_204"} 39: type[100]={name="opls_235",nameB="opls_235"} 39: type[101]={name="opls_236",nameB="opls_236"} 39: type[102]={name="opls_238",nameB="opls_238"} 39: type[103]={name="opls_241",nameB="opls_241"} 39: type[104]={name="opls_224B",nameB="opls_224B"} 39: type[105]={name="opls_140",nameB="opls_140"} 39: type[106]={name="opls_136",nameB="opls_136"} 39: type[107]={name="opls_140",nameB="opls_140"} 39: type[108]={name="opls_140",nameB="opls_140"} 39: type[109]={name="opls_274",nameB="opls_274"} 39: type[110]={name="opls_140",nameB="opls_140"} 39: type[111]={name="opls_140",nameB="opls_140"} 39: type[112]={name="opls_271",nameB="opls_271"} 39: type[113]={name="opls_272",nameB="opls_272"} 39: type[114]={name="opls_272",nameB="opls_272"} 39: type[115]={name="opls_235",nameB="opls_235"} 39: type[116]={name="opls_236",nameB="opls_236"} 39: type[117]={name="opls_238",nameB="opls_238"} 39: type[118]={name="opls_241",nameB="opls_241"} 39: type[119]={name="opls_224B",nameB="opls_224B"} 39: type[120]={name="opls_140",nameB="opls_140"} 39: type[121]={name="opls_136",nameB="opls_136"} 39: type[122]={name="opls_140",nameB="opls_140"} 39: type[123]={name="opls_140",nameB="opls_140"} 39: type[124]={name="opls_137",nameB="opls_137"} 39: type[125]={name="opls_140",nameB="opls_140"} 39: type[126]={name="opls_135",nameB="opls_135"} 39: type[127]={name="opls_140",nameB="opls_140"} 39: type[128]={name="opls_140",nameB="opls_140"} 39: type[129]={name="opls_140",nameB="opls_140"} 39: type[130]={name="opls_135",nameB="opls_135"} 39: type[131]={name="opls_140",nameB="opls_140"} 39: type[132]={name="opls_140",nameB="opls_140"} 39: type[133]={name="opls_140",nameB="opls_140"} 39: type[134]={name="opls_235",nameB="opls_235"} 39: type[135]={name="opls_236",nameB="opls_236"} 39: type[136]={name="opls_238",nameB="opls_238"} 39: type[137]={name="opls_241",nameB="opls_241"} 39: type[138]={name="opls_224B",nameB="opls_224B"} 39: type[139]={name="opls_140",nameB="opls_140"} 39: type[140]={name="opls_135",nameB="opls_135"} 39: type[141]={name="opls_140",nameB="opls_140"} 39: type[142]={name="opls_140",nameB="opls_140"} 39: type[143]={name="opls_140",nameB="opls_140"} 39: type[144]={name="opls_235",nameB="opls_235"} 39: type[145]={name="opls_236",nameB="opls_236"} 39: type[146]={name="opls_238",nameB="opls_238"} 39: type[147]={name="opls_241",nameB="opls_241"} 39: type[148]={name="opls_224B",nameB="opls_224B"} 39: type[149]={name="opls_140",nameB="opls_140"} 39: type[150]={name="opls_135",nameB="opls_135"} 39: type[151]={name="opls_140",nameB="opls_140"} 39: type[152]={name="opls_140",nameB="opls_140"} 39: type[153]={name="opls_140",nameB="opls_140"} 39: type[154]={name="opls_235",nameB="opls_235"} 39: type[155]={name="opls_236",nameB="opls_236"} 39: residue (10): 39: residue[0]={name="LYS", nr=1, ic=' '} 39: residue[1]={name="VAL", nr=2, ic=' '} 39: residue[2]={name="PHE", nr=3, ic=' '} 39: residue[3]={name="GLY", nr=4, ic=' '} 39: residue[4]={name="ARG", nr=5, ic=' '} 39: residue[5]={name="CYS", nr=6, ic=' '} 39: residue[6]={name="GLU", nr=7, ic=' '} 39: residue[7]={name="LEU", nr=8, ic=' '} 39: residue[8]={name="ALA", nr=9, ic=' '} 39: residue[9]={name="ALA", nr=10, ic=' '} 39: excls: 39: nr=156 39: nra=1828 39: excls[0][0..12]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 22, 23, 24} 39: excls[1][13..20]={0, 1, 2, 3, 4, 5, 6, 22} 39: excls[2][21..28]={0, 1, 2, 3, 4, 5, 6, 22} 39: excls[3][29..36]={0, 1, 2, 3, 4, 5, 6, 22} 39: excls[4][37..54]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 22, 39: 23, 24, 25, 26} 39: excls[5][55..67]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 22, 23, 24} 39: excls[6][68..86]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 39: 14, 15, 22, 23, 24} 39: excls[7][87..97]={0, 4, 5, 6, 7, 8, 9, 10, 11, 12, 22} 39: excls[8][98..108]={0, 4, 5, 6, 7, 8, 9, 10, 11, 12, 22} 39: excls[9][109..125]={0, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 39: 16, 17, 18, 22} 39: excls[10][126..136]={4, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15} 39: excls[11][137..147]={4, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15} 39: excls[12][148..164]={4, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 39: 17, 18, 19, 20, 21} 39: excls[13][165..175]={6, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18} 39: excls[14][176..186]={6, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18} 39: excls[15][187..200]={6, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 39: 19, 20, 21} 39: excls[16][201..211]={9, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21} 39: excls[17][212..222]={9, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21} 39: excls[18][223..233]={9, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21} 39: excls[19][234..241]={12, 15, 16, 17, 18, 19, 20, 21} 39: excls[20][242..249]={12, 15, 16, 17, 18, 19, 20, 21} 39: excls[21][250..257]={12, 15, 16, 17, 18, 19, 20, 21} 39: excls[22][258..275]={0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 22, 23, 24, 39: 25, 26, 27, 28, 38} 39: excls[23][276..284]={0, 4, 5, 6, 22, 23, 24, 25, 26} 39: excls[24][285..301]={0, 4, 5, 6, 22, 23, 24, 25, 26, 27, 28, 29, 39: 30, 34, 38, 39, 40} 39: excls[25][302..310]={4, 22, 23, 24, 25, 26, 27, 28, 38} 39: excls[26][311..332]={4, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 39: 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42} 39: excls[27][333..344]={22, 24, 25, 26, 27, 28, 29, 30, 34, 38, 39, 39: 40} 39: excls[28][345..362]={22, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 39: 34, 35, 36, 37, 38, 39, 40} 39: excls[29][363..376]={24, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 39: 36, 37, 38} 39: excls[30][377..390]={24, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 39: 36, 37, 38} 39: excls[31][391..398]={26, 28, 29, 30, 31, 32, 33, 34} 39: excls[32][399..406]={26, 28, 29, 30, 31, 32, 33, 34} 39: excls[33][407..414]={26, 28, 29, 30, 31, 32, 33, 34} 39: excls[34][415..428]={24, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 39: 36, 37, 38} 39: excls[35][429..436]={26, 28, 29, 30, 34, 35, 36, 37} 39: excls[36][437..444]={26, 28, 29, 30, 34, 35, 36, 37} 39: excls[37][445..452]={26, 28, 29, 30, 34, 35, 36, 37} 39: excls[38][453..469]={22, 24, 25, 26, 27, 28, 29, 30, 34, 38, 39, 39: 40, 41, 42, 43, 44, 58} 39: excls[39][470..478]={24, 26, 27, 28, 38, 39, 40, 41, 42} 39: excls[40][479..495]={24, 26, 27, 28, 38, 39, 40, 41, 42, 43, 44, 39: 45, 46, 47, 58, 59, 60} 39: excls[41][496..504]={26, 38, 39, 40, 41, 42, 43, 44, 58} 39: excls[42][505..522]={26, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 39: 48, 50, 58, 59, 60, 61, 62} 39: excls[43][523..534]={38, 40, 41, 42, 43, 44, 45, 46, 47, 58, 59, 39: 60} 39: excls[44][535..552]={38, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 39: 50, 51, 52, 54, 58, 59, 60} 39: excls[45][553..562]={40, 42, 43, 44, 45, 46, 47, 48, 50, 58} 39: excls[46][563..572]={40, 42, 43, 44, 45, 46, 47, 48, 50, 58} 39: excls[47][573..589]={40, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 39: 52, 53, 54, 55, 56, 58} 39: excls[48][590..603]={42, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 39: 54, 56, 57} 39: excls[49][604..611]={44, 47, 48, 49, 50, 52, 53, 56} 39: excls[50][612..625]={42, 44, 45, 46, 47, 48, 49, 50, 51, 52, 54, 39: 55, 56, 57} 39: excls[51][626..633]={44, 47, 48, 50, 51, 54, 55, 56} 39: excls[52][634..644]={44, 47, 48, 49, 50, 52, 53, 54, 55, 56, 57} 39: excls[53][645..652]={47, 48, 49, 52, 53, 54, 56, 57} 39: excls[54][653..663]={44, 47, 48, 50, 51, 52, 53, 54, 55, 56, 57} 39: excls[55][664..671]={47, 50, 51, 52, 54, 55, 56, 57} 39: excls[56][672..682]={47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57} 39: excls[57][683..690]={48, 50, 52, 53, 54, 55, 56, 57} 39: excls[58][691..707]={38, 40, 41, 42, 43, 44, 45, 46, 47, 58, 59, 39: 60, 61, 62, 63, 64, 65} 39: excls[59][708..716]={40, 42, 43, 44, 58, 59, 60, 61, 62} 39: excls[60][717..730]={40, 42, 43, 44, 58, 59, 60, 61, 62, 63, 64, 39: 65, 66, 67} 39: excls[61][731..739]={42, 58, 59, 60, 61, 62, 63, 64, 65} 39: excls[62][740..752]={42, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 39: 68, 69} 39: excls[63][753..761]={58, 60, 61, 62, 63, 64, 65, 66, 67} 39: excls[64][762..770]={58, 60, 61, 62, 63, 64, 65, 66, 67} 39: excls[65][771..784]={58, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 39: 70, 71, 89} 39: excls[66][785..793]={60, 62, 63, 64, 65, 66, 67, 68, 69} 39: excls[67][794..810]={60, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 39: 72, 73, 74, 89, 90, 91} 39: excls[68][811..819]={62, 65, 66, 67, 68, 69, 70, 71, 89} 39: excls[69][820..838]={62, 65, 66, 67, 68, 69, 70, 71, 72, 73, 74, 39: 75, 76, 77, 89, 90, 91, 92, 93} 39: excls[70][839..850]={65, 67, 68, 69, 70, 71, 72, 73, 74, 89, 90, 39: 91} 39: excls[71][851..868]={65, 67, 68, 69, 70, 71, 72, 73, 74, 75, 76, 39: 77, 78, 79, 80, 89, 90, 91} 39: excls[72][869..879]={67, 69, 70, 71, 72, 73, 74, 75, 76, 77, 89} 39: excls[73][880..890]={67, 69, 70, 71, 72, 73, 74, 75, 76, 77, 89} 39: excls[74][891..906]={67, 69, 70, 71, 72, 73, 74, 75, 76, 77, 78, 39: 79, 80, 81, 82, 89} 39: excls[75][907..917]={69, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80} 39: excls[76][918..928]={69, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80} 39: excls[77][929..943]={69, 71, 72, 73, 74, 75, 76, 77, 78, 79, 80, 39: 81, 82, 83, 86} 39: excls[78][944..953]={71, 74, 75, 76, 77, 78, 79, 80, 81, 82} 39: excls[79][954..963]={71, 74, 75, 76, 77, 78, 79, 80, 81, 82} 39: excls[80][964..979]={71, 74, 75, 76, 77, 78, 79, 80, 81, 82, 83, 39: 84, 85, 86, 87, 88} 39: excls[81][980..988]={74, 77, 78, 79, 80, 81, 82, 83, 86} 39: excls[82][989..1001]={74, 77, 78, 79, 80, 81, 82, 83, 84, 85, 39: 86, 87, 88} 39: excls[83][1002..1011]={77, 80, 81, 82, 83, 84, 85, 86, 87, 88} 39: excls[84][1012..1017]={80, 82, 83, 84, 85, 86} 39: excls[85][1018..1023]={80, 82, 83, 84, 85, 86} 39: excls[86][1024..1033]={77, 80, 81, 82, 83, 84, 85, 86, 87, 88} 39: excls[87][1034..1039]={80, 82, 83, 86, 87, 88} 39: excls[88][1040..1045]={80, 82, 83, 86, 87, 88} 39: excls[89][1046..1062]={65, 67, 68, 69, 70, 71, 72, 73, 74, 89, 39: 90, 91, 92, 93, 94, 95, 100} 39: excls[90][1063..1071]={67, 69, 70, 71, 89, 90, 91, 92, 93} 39: excls[91][1072..1088]={67, 69, 70, 71, 89, 90, 91, 92, 93, 94, 39: 95, 96, 97, 98, 100, 101, 102} 39: excls[92][1089..1097]={69, 89, 90, 91, 92, 93, 94, 95, 100} 39: excls[93][1098..1114]={69, 89, 90, 91, 92, 93, 94, 95, 96, 97, 39: 98, 99, 100, 101, 102, 103, 104} 39: excls[94][1115..1126]={89, 91, 92, 93, 94, 95, 96, 97, 98, 100, 39: 101, 102} 39: excls[95][1127..1139]={89, 91, 92, 93, 94, 95, 96, 97, 98, 99, 39: 100, 101, 102} 39: excls[96][1140..1148]={91, 93, 94, 95, 96, 97, 98, 99, 100} 39: excls[97][1149..1157]={91, 93, 94, 95, 96, 97, 98, 99, 100} 39: excls[98][1158..1166]={91, 93, 94, 95, 96, 97, 98, 99, 100} 39: excls[99][1167..1172]={93, 95, 96, 97, 98, 99} 39: excls[100][1173..1189]={89, 91, 92, 93, 94, 95, 96, 97, 98, 100, 39: 101, 102, 103, 104, 105, 106, 115} 39: excls[101][1190..1198]={91, 93, 94, 95, 100, 101, 102, 103, 104} 39: excls[102][1199..1215]={91, 93, 94, 95, 100, 101, 102, 103, 104, 39: 105, 106, 107, 108, 109, 115, 116, 117} 39: excls[103][1216..1224]={93, 100, 101, 102, 103, 104, 105, 106, 39: 115} 39: excls[104][1225..1243]={93, 100, 101, 102, 103, 104, 105, 106, 39: 107, 108, 109, 110, 111, 112, 115, 116, 117, 118, 119} 39: excls[105][1244..1255]={100, 102, 103, 104, 105, 106, 107, 108, 39: 109, 115, 116, 117} 39: excls[106][1256..1272]={100, 102, 103, 104, 105, 106, 107, 108, 39: 109, 110, 111, 112, 113, 114, 115, 116, 117} 39: excls[107][1273..1283]={102, 104, 105, 106, 107, 108, 109, 110, 39: 111, 112, 115} 39: excls[108][1284..1294]={102, 104, 105, 106, 107, 108, 109, 110, 39: 111, 112, 115} 39: excls[109][1295..1307]={102, 104, 105, 106, 107, 108, 109, 110, 39: 111, 112, 113, 114, 115} 39: excls[110][1308..1317]={104, 106, 107, 108, 109, 110, 111, 112, 39: 113, 114} 39: excls[111][1318..1327]={104, 106, 107, 108, 109, 110, 111, 112, 39: 113, 114} 39: excls[112][1328..1337]={104, 106, 107, 108, 109, 110, 111, 112, 39: 113, 114} 39: excls[113][1338..1344]={106, 109, 110, 111, 112, 113, 114} 39: excls[114][1345..1351]={106, 109, 110, 111, 112, 113, 114} 39: excls[115][1352..1368]={100, 102, 103, 104, 105, 106, 107, 108, 39: 109, 115, 116, 117, 118, 119, 120, 121, 134} 39: excls[116][1369..1377]={102, 104, 105, 106, 115, 116, 117, 118, 39: 119} 39: excls[117][1378..1394]={102, 104, 105, 106, 115, 116, 117, 118, 39: 119, 120, 121, 122, 123, 124, 134, 135, 136} 39: excls[118][1395..1403]={104, 115, 116, 117, 118, 119, 120, 121, 39: 134} 39: excls[119][1404..1422]={104, 115, 116, 117, 118, 119, 120, 121, 39: 122, 123, 124, 125, 126, 130, 134, 135, 136, 137, 138} 39: excls[120][1423..1434]={115, 117, 118, 119, 120, 121, 122, 123, 39: 124, 134, 135, 136} 39: excls[121][1435..1455]={115, 117, 118, 119, 120, 121, 122, 123, 39: 124, 125, 126, 127, 128, 129, 130, 131, 132, 133, 134, 135, 39: 136} 39: excls[122][1456..1466]={117, 119, 120, 121, 122, 123, 124, 125, 39: 126, 130, 134} 39: excls[123][1467..1477]={117, 119, 120, 121, 122, 123, 124, 125, 39: 126, 130, 134} 39: excls[124][1478..1494]={117, 119, 120, 121, 122, 123, 124, 125, 39: 126, 127, 128, 129, 130, 131, 132, 133, 134} 39: excls[125][1495..1508]={119, 121, 122, 123, 124, 125, 126, 127, 39: 128, 129, 130, 131, 132, 133} 39: excls[126][1509..1522]={119, 121, 122, 123, 124, 125, 126, 127, 39: 128, 129, 130, 131, 132, 133} 39: excls[127][1523..1530]={121, 124, 125, 126, 127, 128, 129, 130} 39: excls[128][1531..1538]={121, 124, 125, 126, 127, 128, 129, 130} 39: excls[129][1539..1546]={121, 124, 125, 126, 127, 128, 129, 130} 39: excls[130][1547..1560]={119, 121, 122, 123, 124, 125, 126, 127, 39: 128, 129, 130, 131, 132, 133} 39: excls[131][1561..1568]={121, 124, 125, 126, 130, 131, 132, 133} 39: excls[132][1569..1576]={121, 124, 125, 126, 130, 131, 132, 133} 39: excls[133][1577..1584]={121, 124, 125, 126, 130, 131, 132, 133} 39: excls[134][1585..1601]={115, 117, 118, 119, 120, 121, 122, 123, 39: 124, 134, 135, 136, 137, 138, 139, 140, 144} 39: excls[135][1602..1610]={117, 119, 120, 121, 134, 135, 136, 137, 39: 138} 39: excls[136][1611..1627]={117, 119, 120, 121, 134, 135, 136, 137, 39: 138, 139, 140, 141, 142, 143, 144, 145, 146} 39: excls[137][1628..1636]={119, 134, 135, 136, 137, 138, 139, 140, 39: 144} 39: excls[138][1637..1652]={119, 134, 135, 136, 137, 138, 139, 140, 39: 141, 142, 143, 144, 145, 146, 147, 148} 39: excls[139][1653..1664]={134, 136, 137, 138, 139, 140, 141, 142, 39: 143, 144, 145, 146} 39: excls[140][1665..1676]={134, 136, 137, 138, 139, 140, 141, 142, 39: 143, 144, 145, 146} 39: excls[141][1677..1684]={136, 138, 139, 140, 141, 142, 143, 144} 39: excls[142][1685..1692]={136, 138, 139, 140, 141, 142, 143, 144} 39: excls[143][1693..1700]={136, 138, 139, 140, 141, 142, 143, 144} 39: excls[144][1701..1717]={134, 136, 137, 138, 139, 140, 141, 142, 39: 143, 144, 145, 146, 147, 148, 149, 150, 154} 39: excls[145][1718..1726]={136, 138, 139, 140, 144, 145, 146, 147, 39: 148} 39: excls[146][1727..1742]={136, 138, 139, 140, 144, 145, 146, 147, 39: 148, 149, 150, 151, 152, 153, 154, 155} 39: excls[147][1743..1751]={138, 144, 145, 146, 147, 148, 149, 150, 39: 154} 39: excls[148][1752..1764]={138, 144, 145, 146, 147, 148, 149, 150, 39: 151, 152, 153, 154, 155} 39: excls[149][1765..1775]={144, 146, 147, 148, 149, 150, 151, 152, 39: 153, 154, 155} 39: excls[150][1776..1786]={144, 146, 147, 148, 149, 150, 151, 152, 39: 153, 154, 155} 39: excls[151][1787..1794]={146, 148, 149, 150, 151, 152, 153, 154} 39: excls[152][1795..1802]={146, 148, 149, 150, 151, 152, 153, 154} 39: excls[153][1803..1810]={146, 148, 149, 150, 151, 152, 153, 154} 39: excls[154][1811..1821]={144, 146, 147, 148, 149, 150, 151, 152, 39: 153, 154, 155} 39: excls[155][1822..1827]={146, 148, 149, 150, 154, 155} 39: Bond: 39: nr: 468 39: iatoms: 39: 0 type=100 (BONDS) 0 1 39: 1 type=100 (BONDS) 0 2 39: 2 type=100 (BONDS) 0 3 39: 3 type=101 (BONDS) 0 4 39: 4 type=102 (BONDS) 4 5 39: 5 type=103 (BONDS) 4 6 39: 6 type=104 (BONDS) 4 22 39: 7 type=102 (BONDS) 6 7 39: 8 type=102 (BONDS) 6 8 39: 9 type=103 (BONDS) 6 9 39: 10 type=102 (BONDS) 9 10 39: 11 type=102 (BONDS) 9 11 39: 12 type=103 (BONDS) 9 12 39: 13 type=102 (BONDS) 12 13 39: 14 type=102 (BONDS) 12 14 39: 15 type=103 (BONDS) 12 15 39: 16 type=102 (BONDS) 15 16 39: 17 type=102 (BONDS) 15 17 39: 18 type=101 (BONDS) 15 18 39: 19 type=100 (BONDS) 18 19 39: 20 type=100 (BONDS) 18 20 39: 21 type=100 (BONDS) 18 21 39: 22 type=105 (BONDS) 22 23 39: 23 type=106 (BONDS) 22 24 39: 24 type=100 (BONDS) 24 25 39: 25 type=107 (BONDS) 24 26 39: 26 type=102 (BONDS) 26 27 39: 27 type=103 (BONDS) 26 28 39: 28 type=104 (BONDS) 26 38 39: 29 type=102 (BONDS) 28 29 39: 30 type=103 (BONDS) 28 30 39: 31 type=103 (BONDS) 28 34 39: 32 type=102 (BONDS) 30 31 39: 33 type=102 (BONDS) 30 32 39: 34 type=102 (BONDS) 30 33 39: 35 type=102 (BONDS) 34 35 39: 36 type=102 (BONDS) 34 36 39: 37 type=102 (BONDS) 34 37 39: 38 type=105 (BONDS) 38 39 39: 39 type=106 (BONDS) 38 40 39: 40 type=100 (BONDS) 40 41 39: 41 type=107 (BONDS) 40 42 39: 42 type=102 (BONDS) 42 43 39: 43 type=103 (BONDS) 42 44 39: 44 type=104 (BONDS) 42 58 39: 45 type=102 (BONDS) 44 45 39: 46 type=102 (BONDS) 44 46 39: 47 type=108 (BONDS) 44 47 39: 48 type=109 (BONDS) 47 48 39: 49 type=109 (BONDS) 47 50 39: 50 type=110 (BONDS) 48 49 39: 51 type=109 (BONDS) 48 52 39: 52 type=110 (BONDS) 50 51 39: 53 type=109 (BONDS) 50 54 39: 54 type=110 (BONDS) 52 53 39: 55 type=109 (BONDS) 52 56 39: 56 type=110 (BONDS) 54 55 39: 57 type=109 (BONDS) 54 56 39: 58 type=110 (BONDS) 56 57 39: 59 type=105 (BONDS) 58 59 39: 60 type=106 (BONDS) 58 60 39: 61 type=100 (BONDS) 60 61 39: 62 type=107 (BONDS) 60 62 39: 63 type=102 (BONDS) 62 63 39: 64 type=102 (BONDS) 62 64 39: 65 type=104 (BONDS) 62 65 39: 66 type=105 (BONDS) 65 66 39: 67 type=106 (BONDS) 65 67 39: 68 type=100 (BONDS) 67 68 39: 69 type=107 (BONDS) 67 69 39: 70 type=102 (BONDS) 69 70 39: 71 type=103 (BONDS) 69 71 39: 72 type=104 (BONDS) 69 89 39: 73 type=102 (BONDS) 71 72 39: 74 type=102 (BONDS) 71 73 39: 75 type=103 (BONDS) 71 74 39: 76 type=102 (BONDS) 74 75 39: 77 type=102 (BONDS) 74 76 39: 78 type=103 (BONDS) 74 77 39: 79 type=102 (BONDS) 77 78 39: 80 type=102 (BONDS) 77 79 39: 81 type=111 (BONDS) 77 80 39: 82 type=100 (BONDS) 80 81 39: 83 type=112 (BONDS) 80 82 39: 84 type=112 (BONDS) 82 83 39: 85 type=112 (BONDS) 82 86 39: 86 type=100 (BONDS) 83 84 39: 87 type=100 (BONDS) 83 85 39: 88 type=100 (BONDS) 86 87 39: 89 type=100 (BONDS) 86 88 39: 90 type=105 (BONDS) 89 90 39: 91 type=106 (BONDS) 89 91 39: 92 type=100 (BONDS) 91 92 39: 93 type=107 (BONDS) 91 93 39: 94 type=102 (BONDS) 93 94 39: 95 type=103 (BONDS) 93 95 39: 96 type=104 (BONDS) 93 100 39: 97 type=102 (BONDS) 95 96 39: 98 type=102 (BONDS) 95 97 39: 99 type=113 (BONDS) 95 98 39: 100 type=114 (BONDS) 98 99 39: 101 type=105 (BONDS) 100 101 39: 102 type=106 (BONDS) 100 102 39: 103 type=100 (BONDS) 102 103 39: 104 type=107 (BONDS) 102 104 39: 105 type=102 (BONDS) 104 105 39: 106 type=103 (BONDS) 104 106 39: 107 type=104 (BONDS) 104 115 39: 108 type=102 (BONDS) 106 107 39: 109 type=102 (BONDS) 106 108 39: 110 type=103 (BONDS) 106 109 39: 111 type=102 (BONDS) 109 110 39: 112 type=102 (BONDS) 109 111 39: 113 type=104 (BONDS) 109 112 39: 114 type=115 (BONDS) 112 113 39: 115 type=115 (BONDS) 112 114 39: 116 type=105 (BONDS) 115 116 39: 117 type=106 (BONDS) 115 117 39: 118 type=100 (BONDS) 117 118 39: 119 type=107 (BONDS) 117 119 39: 120 type=102 (BONDS) 119 120 39: 121 type=103 (BONDS) 119 121 39: 122 type=104 (BONDS) 119 134 39: 123 type=102 (BONDS) 121 122 39: 124 type=102 (BONDS) 121 123 39: 125 type=103 (BONDS) 121 124 39: 126 type=102 (BONDS) 124 125 39: 127 type=103 (BONDS) 124 126 39: 128 type=103 (BONDS) 124 130 39: 129 type=102 (BONDS) 126 127 39: 130 type=102 (BONDS) 126 128 39: 131 type=102 (BONDS) 126 129 39: 132 type=102 (BONDS) 130 131 39: 133 type=102 (BONDS) 130 132 39: 134 type=102 (BONDS) 130 133 39: 135 type=105 (BONDS) 134 135 39: 136 type=106 (BONDS) 134 136 39: 137 type=100 (BONDS) 136 137 39: 138 type=107 (BONDS) 136 138 39: 139 type=102 (BONDS) 138 139 39: 140 type=103 (BONDS) 138 140 39: 141 type=104 (BONDS) 138 144 39: 142 type=102 (BONDS) 140 141 39: 143 type=102 (BONDS) 140 142 39: 144 type=102 (BONDS) 140 143 39: 145 type=105 (BONDS) 144 145 39: 146 type=106 (BONDS) 144 146 39: 147 type=100 (BONDS) 146 147 39: 148 type=107 (BONDS) 146 148 39: 149 type=102 (BONDS) 148 149 39: 150 type=103 (BONDS) 148 150 39: 151 type=104 (BONDS) 148 154 39: 152 type=102 (BONDS) 150 151 39: 153 type=102 (BONDS) 150 152 39: 154 type=102 (BONDS) 150 153 39: 155 type=105 (BONDS) 154 155 39: G96Bond: 39: nr: 0 39: Morse: 39: nr: 0 39: Cubic Bonds: 39: nr: 0 39: Connect Bonds: 39: nr: 0 39: Harmonic Pot.: 39: nr: 0 39: FENE Bonds: 39: nr: 0 39: Tab. Bonds: 39: nr: 0 39: Tab. Bonds NC: 39: nr: 0 39: Restraint Pot.: 39: nr: 0 39: Angle: 39: nr: 1124 39: iatoms: 39: 0 type=116 (ANGLES) 1 0 2 39: 1 type=116 (ANGLES) 1 0 3 39: 2 type=116 (ANGLES) 1 0 4 39: 3 type=116 (ANGLES) 2 0 3 39: 4 type=116 (ANGLES) 2 0 4 39: 5 type=116 (ANGLES) 3 0 4 39: 6 type=116 (ANGLES) 0 4 5 39: 7 type=117 (ANGLES) 0 4 6 39: 8 type=117 (ANGLES) 0 4 22 39: 9 type=118 (ANGLES) 5 4 6 39: 10 type=116 (ANGLES) 5 4 22 39: 11 type=119 (ANGLES) 6 4 22 39: 12 type=118 (ANGLES) 4 6 7 39: 13 type=118 (ANGLES) 4 6 8 39: 14 type=120 (ANGLES) 4 6 9 39: 15 type=121 (ANGLES) 7 6 8 39: 16 type=118 (ANGLES) 7 6 9 39: 17 type=118 (ANGLES) 8 6 9 39: 18 type=118 (ANGLES) 6 9 10 39: 19 type=118 (ANGLES) 6 9 11 39: 20 type=120 (ANGLES) 6 9 12 39: 21 type=121 (ANGLES) 10 9 11 39: 22 type=118 (ANGLES) 10 9 12 39: 23 type=118 (ANGLES) 11 9 12 39: 24 type=118 (ANGLES) 9 12 13 39: 25 type=118 (ANGLES) 9 12 14 39: 26 type=120 (ANGLES) 9 12 15 39: 27 type=121 (ANGLES) 13 12 14 39: 28 type=118 (ANGLES) 13 12 15 39: 29 type=118 (ANGLES) 14 12 15 39: 30 type=118 (ANGLES) 12 15 16 39: 31 type=118 (ANGLES) 12 15 17 39: 32 type=117 (ANGLES) 12 15 18 39: 33 type=121 (ANGLES) 16 15 17 39: 34 type=116 (ANGLES) 16 15 18 39: 35 type=116 (ANGLES) 17 15 18 39: 36 type=116 (ANGLES) 15 18 19 39: 37 type=116 (ANGLES) 15 18 20 39: 38 type=116 (ANGLES) 15 18 21 39: 39 type=116 (ANGLES) 19 18 20 39: 40 type=116 (ANGLES) 19 18 21 39: 41 type=116 (ANGLES) 20 18 21 39: 42 type=122 (ANGLES) 4 22 23 39: 43 type=123 (ANGLES) 4 22 24 39: 44 type=124 (ANGLES) 23 22 24 39: 45 type=125 (ANGLES) 22 24 25 39: 46 type=126 (ANGLES) 22 24 26 39: 47 type=127 (ANGLES) 25 24 26 39: 48 type=116 (ANGLES) 24 26 27 39: 49 type=128 (ANGLES) 24 26 28 39: 50 type=129 (ANGLES) 24 26 38 39: 51 type=118 (ANGLES) 27 26 28 39: 52 type=116 (ANGLES) 27 26 38 39: 53 type=119 (ANGLES) 28 26 38 39: 54 type=118 (ANGLES) 26 28 29 39: 55 type=120 (ANGLES) 26 28 30 39: 56 type=120 (ANGLES) 26 28 34 39: 57 type=118 (ANGLES) 29 28 30 39: 58 type=118 (ANGLES) 29 28 34 39: 59 type=120 (ANGLES) 30 28 34 39: 60 type=118 (ANGLES) 28 30 31 39: 61 type=118 (ANGLES) 28 30 32 39: 62 type=118 (ANGLES) 28 30 33 39: 63 type=121 (ANGLES) 31 30 32 39: 64 type=121 (ANGLES) 31 30 33 39: 65 type=121 (ANGLES) 32 30 33 39: 66 type=118 (ANGLES) 28 34 35 39: 67 type=118 (ANGLES) 28 34 36 39: 68 type=118 (ANGLES) 28 34 37 39: 69 type=121 (ANGLES) 35 34 36 39: 70 type=121 (ANGLES) 35 34 37 39: 71 type=121 (ANGLES) 36 34 37 39: 72 type=122 (ANGLES) 26 38 39 39: 73 type=123 (ANGLES) 26 38 40 39: 74 type=124 (ANGLES) 39 38 40 39: 75 type=125 (ANGLES) 38 40 41 39: 76 type=126 (ANGLES) 38 40 42 39: 77 type=127 (ANGLES) 41 40 42 39: 78 type=116 (ANGLES) 40 42 43 39: 79 type=128 (ANGLES) 40 42 44 39: 80 type=129 (ANGLES) 40 42 58 39: 81 type=118 (ANGLES) 43 42 44 39: 82 type=116 (ANGLES) 43 42 58 39: 83 type=119 (ANGLES) 44 42 58 39: 84 type=118 (ANGLES) 42 44 45 39: 85 type=118 (ANGLES) 42 44 46 39: 86 type=130 (ANGLES) 42 44 47 39: 87 type=121 (ANGLES) 45 44 46 39: 88 type=116 (ANGLES) 45 44 47 39: 89 type=116 (ANGLES) 46 44 47 39: 90 type=131 (ANGLES) 44 47 48 39: 91 type=131 (ANGLES) 44 47 50 39: 92 type=132 (ANGLES) 48 47 50 39: 93 type=133 (ANGLES) 47 48 49 39: 94 type=132 (ANGLES) 47 48 52 39: 95 type=133 (ANGLES) 49 48 52 39: 96 type=133 (ANGLES) 47 50 51 39: 97 type=132 (ANGLES) 47 50 54 39: 98 type=133 (ANGLES) 51 50 54 39: 99 type=133 (ANGLES) 48 52 53 39: 100 type=132 (ANGLES) 48 52 56 39: 101 type=133 (ANGLES) 53 52 56 39: 102 type=133 (ANGLES) 50 54 55 39: 103 type=132 (ANGLES) 50 54 56 39: 104 type=133 (ANGLES) 55 54 56 39: 105 type=132 (ANGLES) 52 56 54 39: 106 type=133 (ANGLES) 52 56 57 39: 107 type=133 (ANGLES) 54 56 57 39: 108 type=122 (ANGLES) 42 58 59 39: 109 type=123 (ANGLES) 42 58 60 39: 110 type=124 (ANGLES) 59 58 60 39: 111 type=125 (ANGLES) 58 60 61 39: 112 type=126 (ANGLES) 58 60 62 39: 113 type=127 (ANGLES) 61 60 62 39: 114 type=116 (ANGLES) 60 62 63 39: 115 type=116 (ANGLES) 60 62 64 39: 116 type=129 (ANGLES) 60 62 65 39: 117 type=121 (ANGLES) 63 62 64 39: 118 type=116 (ANGLES) 63 62 65 39: 119 type=116 (ANGLES) 64 62 65 39: 120 type=122 (ANGLES) 62 65 66 39: 121 type=123 (ANGLES) 62 65 67 39: 122 type=124 (ANGLES) 66 65 67 39: 123 type=125 (ANGLES) 65 67 68 39: 124 type=126 (ANGLES) 65 67 69 39: 125 type=127 (ANGLES) 68 67 69 39: 126 type=116 (ANGLES) 67 69 70 39: 127 type=128 (ANGLES) 67 69 71 39: 128 type=129 (ANGLES) 67 69 89 39: 129 type=118 (ANGLES) 70 69 71 39: 130 type=116 (ANGLES) 70 69 89 39: 131 type=119 (ANGLES) 71 69 89 39: 132 type=118 (ANGLES) 69 71 72 39: 133 type=118 (ANGLES) 69 71 73 39: 134 type=120 (ANGLES) 69 71 74 39: 135 type=121 (ANGLES) 72 71 73 39: 136 type=118 (ANGLES) 72 71 74 39: 137 type=118 (ANGLES) 73 71 74 39: 138 type=118 (ANGLES) 71 74 75 39: 139 type=118 (ANGLES) 71 74 76 39: 140 type=120 (ANGLES) 71 74 77 39: 141 type=121 (ANGLES) 75 74 76 39: 142 type=118 (ANGLES) 75 74 77 39: 143 type=118 (ANGLES) 76 74 77 39: 144 type=118 (ANGLES) 74 77 78 39: 145 type=118 (ANGLES) 74 77 79 39: 146 type=117 (ANGLES) 74 77 80 39: 147 type=121 (ANGLES) 78 77 79 39: 148 type=116 (ANGLES) 78 77 80 39: 149 type=116 (ANGLES) 79 77 80 39: 150 type=134 (ANGLES) 77 80 81 39: 151 type=135 (ANGLES) 77 80 82 39: 152 type=133 (ANGLES) 81 80 82 39: 153 type=131 (ANGLES) 80 82 83 39: 154 type=131 (ANGLES) 80 82 86 39: 155 type=131 (ANGLES) 83 82 86 39: 156 type=133 (ANGLES) 82 83 84 39: 157 type=133 (ANGLES) 82 83 85 39: 158 type=133 (ANGLES) 84 83 85 39: 159 type=133 (ANGLES) 82 86 87 39: 160 type=133 (ANGLES) 82 86 88 39: 161 type=133 (ANGLES) 87 86 88 39: 162 type=122 (ANGLES) 69 89 90 39: 163 type=123 (ANGLES) 69 89 91 39: 164 type=124 (ANGLES) 90 89 91 39: 165 type=125 (ANGLES) 89 91 92 39: 166 type=126 (ANGLES) 89 91 93 39: 167 type=127 (ANGLES) 92 91 93 39: 168 type=116 (ANGLES) 91 93 94 39: 169 type=128 (ANGLES) 91 93 95 39: 170 type=129 (ANGLES) 91 93 100 39: 171 type=118 (ANGLES) 94 93 95 39: 172 type=116 (ANGLES) 94 93 100 39: 173 type=119 (ANGLES) 95 93 100 39: 174 type=118 (ANGLES) 93 95 96 39: 175 type=118 (ANGLES) 93 95 97 39: 176 type=136 (ANGLES) 93 95 98 39: 177 type=121 (ANGLES) 96 95 97 39: 178 type=116 (ANGLES) 96 95 98 39: 179 type=116 (ANGLES) 97 95 98 39: 180 type=137 (ANGLES) 95 98 99 39: 181 type=122 (ANGLES) 93 100 101 39: 182 type=123 (ANGLES) 93 100 102 39: 183 type=124 (ANGLES) 101 100 102 39: 184 type=125 (ANGLES) 100 102 103 39: 185 type=126 (ANGLES) 100 102 104 39: 186 type=127 (ANGLES) 103 102 104 39: 187 type=116 (ANGLES) 102 104 105 39: 188 type=128 (ANGLES) 102 104 106 39: 189 type=129 (ANGLES) 102 104 115 39: 190 type=118 (ANGLES) 105 104 106 39: 191 type=116 (ANGLES) 105 104 115 39: 192 type=119 (ANGLES) 106 104 115 39: 193 type=118 (ANGLES) 104 106 107 39: 194 type=118 (ANGLES) 104 106 108 39: 195 type=120 (ANGLES) 104 106 109 39: 196 type=121 (ANGLES) 107 106 108 39: 197 type=118 (ANGLES) 107 106 109 39: 198 type=118 (ANGLES) 108 106 109 39: 199 type=118 (ANGLES) 106 109 110 39: 200 type=118 (ANGLES) 106 109 111 39: 201 type=119 (ANGLES) 106 109 112 39: 202 type=121 (ANGLES) 110 109 111 39: 203 type=116 (ANGLES) 110 109 112 39: 204 type=116 (ANGLES) 111 109 112 39: 205 type=138 (ANGLES) 109 112 113 39: 206 type=138 (ANGLES) 109 112 114 39: 207 type=139 (ANGLES) 113 112 114 39: 208 type=122 (ANGLES) 104 115 116 39: 209 type=123 (ANGLES) 104 115 117 39: 210 type=124 (ANGLES) 116 115 117 39: 211 type=125 (ANGLES) 115 117 118 39: 212 type=126 (ANGLES) 115 117 119 39: 213 type=127 (ANGLES) 118 117 119 39: 214 type=116 (ANGLES) 117 119 120 39: 215 type=128 (ANGLES) 117 119 121 39: 216 type=129 (ANGLES) 117 119 134 39: 217 type=118 (ANGLES) 120 119 121 39: 218 type=116 (ANGLES) 120 119 134 39: 219 type=119 (ANGLES) 121 119 134 39: 220 type=118 (ANGLES) 119 121 122 39: 221 type=118 (ANGLES) 119 121 123 39: 222 type=120 (ANGLES) 119 121 124 39: 223 type=121 (ANGLES) 122 121 123 39: 224 type=118 (ANGLES) 122 121 124 39: 225 type=118 (ANGLES) 123 121 124 39: 226 type=118 (ANGLES) 121 124 125 39: 227 type=120 (ANGLES) 121 124 126 39: 228 type=120 (ANGLES) 121 124 130 39: 229 type=118 (ANGLES) 125 124 126 39: 230 type=118 (ANGLES) 125 124 130 39: 231 type=120 (ANGLES) 126 124 130 39: 232 type=118 (ANGLES) 124 126 127 39: 233 type=118 (ANGLES) 124 126 128 39: 234 type=118 (ANGLES) 124 126 129 39: 235 type=121 (ANGLES) 127 126 128 39: 236 type=121 (ANGLES) 127 126 129 39: 237 type=121 (ANGLES) 128 126 129 39: 238 type=118 (ANGLES) 124 130 131 39: 239 type=118 (ANGLES) 124 130 132 39: 240 type=118 (ANGLES) 124 130 133 39: 241 type=121 (ANGLES) 131 130 132 39: 242 type=121 (ANGLES) 131 130 133 39: 243 type=121 (ANGLES) 132 130 133 39: 244 type=122 (ANGLES) 119 134 135 39: 245 type=123 (ANGLES) 119 134 136 39: 246 type=124 (ANGLES) 135 134 136 39: 247 type=125 (ANGLES) 134 136 137 39: 248 type=126 (ANGLES) 134 136 138 39: 249 type=127 (ANGLES) 137 136 138 39: 250 type=116 (ANGLES) 136 138 139 39: 251 type=128 (ANGLES) 136 138 140 39: 252 type=129 (ANGLES) 136 138 144 39: 253 type=118 (ANGLES) 139 138 140 39: 254 type=116 (ANGLES) 139 138 144 39: 255 type=119 (ANGLES) 140 138 144 39: 256 type=118 (ANGLES) 138 140 141 39: 257 type=118 (ANGLES) 138 140 142 39: 258 type=118 (ANGLES) 138 140 143 39: 259 type=121 (ANGLES) 141 140 142 39: 260 type=121 (ANGLES) 141 140 143 39: 261 type=121 (ANGLES) 142 140 143 39: 262 type=122 (ANGLES) 138 144 145 39: 263 type=123 (ANGLES) 138 144 146 39: 264 type=124 (ANGLES) 145 144 146 39: 265 type=125 (ANGLES) 144 146 147 39: 266 type=126 (ANGLES) 144 146 148 39: 267 type=127 (ANGLES) 147 146 148 39: 268 type=116 (ANGLES) 146 148 149 39: 269 type=128 (ANGLES) 146 148 150 39: 270 type=129 (ANGLES) 146 148 154 39: 271 type=118 (ANGLES) 149 148 150 39: 272 type=116 (ANGLES) 149 148 154 39: 273 type=119 (ANGLES) 150 148 154 39: 274 type=118 (ANGLES) 148 150 151 39: 275 type=118 (ANGLES) 148 150 152 39: 276 type=118 (ANGLES) 148 150 153 39: 277 type=121 (ANGLES) 151 150 152 39: 278 type=121 (ANGLES) 151 150 153 39: 279 type=121 (ANGLES) 152 150 153 39: 280 type=122 (ANGLES) 148 154 155 39: G96Angle: 39: nr: 0 39: Restricted Angles: 39: nr: 0 39: Lin. Angle: 39: nr: 0 39: Bond-Cross: 39: nr: 0 39: BA-Cross: 39: nr: 0 39: U-B: 39: nr: 0 39: Quartic Angles: 39: nr: 0 39: Tab. Angles: 39: nr: 0 39: Proper Dih.: 39: nr: 145 39: iatoms: 39: 0 type=140 (PDIHS) 4 24 22 23 39: 1 type=141 (PDIHS) 22 26 24 25 39: 2 type=140 (PDIHS) 26 40 38 39 39: 3 type=141 (PDIHS) 38 42 40 41 39: 4 type=140 (PDIHS) 42 60 58 59 39: 5 type=142 (PDIHS) 44 47 50 48 39: 6 type=142 (PDIHS) 47 52 48 49 39: 7 type=142 (PDIHS) 47 54 50 51 39: 8 type=142 (PDIHS) 48 56 52 53 39: 9 type=142 (PDIHS) 50 56 54 55 39: 10 type=142 (PDIHS) 52 54 56 57 39: 11 type=141 (PDIHS) 58 62 60 61 39: 12 type=140 (PDIHS) 62 67 65 66 39: 13 type=141 (PDIHS) 65 69 67 68 39: 14 type=140 (PDIHS) 69 91 89 90 39: 15 type=141 (PDIHS) 77 82 80 81 39: 16 type=140 (PDIHS) 80 83 82 86 39: 17 type=141 (PDIHS) 82 84 83 85 39: 18 type=141 (PDIHS) 82 87 86 88 39: 19 type=141 (PDIHS) 89 93 91 92 39: 20 type=140 (PDIHS) 93 102 100 101 39: 21 type=141 (PDIHS) 100 104 102 103 39: 22 type=140 (PDIHS) 104 117 115 116 39: 23 type=140 (PDIHS) 109 113 112 114 39: 24 type=141 (PDIHS) 115 119 117 118 39: 25 type=140 (PDIHS) 119 136 134 135 39: 26 type=141 (PDIHS) 134 138 136 137 39: 27 type=140 (PDIHS) 138 146 144 145 39: 28 type=141 (PDIHS) 144 148 146 147 39: Ryckaert-Bell.: 39: nr: 1565 39: iatoms: 39: 0 type=143 (RBDIHS) 1 0 4 5 39: 1 type=144 (RBDIHS) 1 0 4 6 39: 2 type=144 (RBDIHS) 1 0 4 22 39: 3 type=143 (RBDIHS) 2 0 4 5 39: 4 type=144 (RBDIHS) 2 0 4 6 39: 5 type=144 (RBDIHS) 2 0 4 22 39: 6 type=143 (RBDIHS) 3 0 4 5 39: 7 type=144 (RBDIHS) 3 0 4 6 39: 8 type=144 (RBDIHS) 3 0 4 22 39: 9 type=145 (RBDIHS) 0 4 6 9 39: 10 type=146 (RBDIHS) 22 4 6 9 39: 11 type=147 (RBDIHS) 0 4 6 7 39: 12 type=147 (RBDIHS) 0 4 6 8 39: 13 type=148 (RBDIHS) 5 4 6 7 39: 14 type=148 (RBDIHS) 5 4 6 8 39: 15 type=148 (RBDIHS) 5 4 6 9 39: 16 type=149 (RBDIHS) 22 4 6 7 39: 17 type=149 (RBDIHS) 22 4 6 8 39: 18 type=150 (RBDIHS) 0 4 22 24 39: 19 type=151 (RBDIHS) 6 4 22 24 39: 20 type=148 (RBDIHS) 4 6 9 10 39: 21 type=148 (RBDIHS) 4 6 9 11 39: 22 type=152 (RBDIHS) 4 6 9 12 39: 23 type=148 (RBDIHS) 7 6 9 10 39: 24 type=148 (RBDIHS) 7 6 9 11 39: 25 type=148 (RBDIHS) 7 6 9 12 39: 26 type=148 (RBDIHS) 8 6 9 10 39: 27 type=148 (RBDIHS) 8 6 9 11 39: 28 type=148 (RBDIHS) 8 6 9 12 39: 29 type=148 (RBDIHS) 6 9 12 13 39: 30 type=148 (RBDIHS) 6 9 12 14 39: 31 type=152 (RBDIHS) 6 9 12 15 39: 32 type=148 (RBDIHS) 10 9 12 13 39: 33 type=148 (RBDIHS) 10 9 12 14 39: 34 type=148 (RBDIHS) 10 9 12 15 39: 35 type=148 (RBDIHS) 11 9 12 13 39: 36 type=148 (RBDIHS) 11 9 12 14 39: 37 type=148 (RBDIHS) 11 9 12 15 39: 38 type=148 (RBDIHS) 9 12 15 16 39: 39 type=148 (RBDIHS) 9 12 15 17 39: 40 type=153 (RBDIHS) 9 12 15 18 39: 41 type=148 (RBDIHS) 13 12 15 16 39: 42 type=148 (RBDIHS) 13 12 15 17 39: 43 type=154 (RBDIHS) 13 12 15 18 39: 44 type=148 (RBDIHS) 14 12 15 16 39: 45 type=148 (RBDIHS) 14 12 15 17 39: 46 type=154 (RBDIHS) 14 12 15 18 39: 47 type=144 (RBDIHS) 12 15 18 19 39: 48 type=144 (RBDIHS) 12 15 18 20 39: 49 type=144 (RBDIHS) 12 15 18 21 39: 50 type=143 (RBDIHS) 16 15 18 19 39: 51 type=143 (RBDIHS) 16 15 18 20 39: 52 type=143 (RBDIHS) 16 15 18 21 39: 53 type=143 (RBDIHS) 17 15 18 19 39: 54 type=143 (RBDIHS) 17 15 18 20 39: 55 type=143 (RBDIHS) 17 15 18 21 39: 56 type=155 (RBDIHS) 4 22 24 25 39: 57 type=156 (RBDIHS) 4 22 24 26 39: 58 type=155 (RBDIHS) 23 22 24 25 39: 59 type=157 (RBDIHS) 23 22 24 26 39: 60 type=158 (RBDIHS) 22 24 26 28 39: 61 type=159 (RBDIHS) 22 24 26 38 39: 62 type=160 (RBDIHS) 24 26 28 30 39: 63 type=160 (RBDIHS) 24 26 28 34 39: 64 type=161 (RBDIHS) 38 26 28 30 39: 65 type=161 (RBDIHS) 38 26 28 34 39: 66 type=147 (RBDIHS) 24 26 28 29 39: 67 type=148 (RBDIHS) 27 26 28 29 39: 68 type=148 (RBDIHS) 27 26 28 30 39: 69 type=148 (RBDIHS) 27 26 28 34 39: 70 type=149 (RBDIHS) 38 26 28 29 39: 71 type=150 (RBDIHS) 24 26 38 40 39: 72 type=151 (RBDIHS) 28 26 38 40 39: 73 type=148 (RBDIHS) 26 28 30 31 39: 74 type=148 (RBDIHS) 26 28 30 32 39: 75 type=148 (RBDIHS) 26 28 30 33 39: 76 type=148 (RBDIHS) 29 28 30 31 39: 77 type=148 (RBDIHS) 29 28 30 32 39: 78 type=148 (RBDIHS) 29 28 30 33 39: 79 type=148 (RBDIHS) 34 28 30 31 39: 80 type=148 (RBDIHS) 34 28 30 32 39: 81 type=148 (RBDIHS) 34 28 30 33 39: 82 type=148 (RBDIHS) 26 28 34 35 39: 83 type=148 (RBDIHS) 26 28 34 36 39: 84 type=148 (RBDIHS) 26 28 34 37 39: 85 type=148 (RBDIHS) 29 28 34 35 39: 86 type=148 (RBDIHS) 29 28 34 36 39: 87 type=148 (RBDIHS) 29 28 34 37 39: 88 type=148 (RBDIHS) 30 28 34 35 39: 89 type=148 (RBDIHS) 30 28 34 36 39: 90 type=148 (RBDIHS) 30 28 34 37 39: 91 type=155 (RBDIHS) 26 38 40 41 39: 92 type=156 (RBDIHS) 26 38 40 42 39: 93 type=155 (RBDIHS) 39 38 40 41 39: 94 type=157 (RBDIHS) 39 38 40 42 39: 95 type=158 (RBDIHS) 38 40 42 44 39: 96 type=159 (RBDIHS) 38 40 42 58 39: 97 type=147 (RBDIHS) 40 42 44 45 39: 98 type=147 (RBDIHS) 40 42 44 46 39: 99 type=162 (RBDIHS) 40 42 44 47 39: 100 type=148 (RBDIHS) 43 42 44 45 39: 101 type=148 (RBDIHS) 43 42 44 46 39: 102 type=163 (RBDIHS) 43 42 44 47 39: 103 type=149 (RBDIHS) 58 42 44 45 39: 104 type=149 (RBDIHS) 58 42 44 46 39: 105 type=164 (RBDIHS) 58 42 44 47 39: 106 type=150 (RBDIHS) 40 42 58 60 39: 107 type=151 (RBDIHS) 44 42 58 60 39: 108 type=165 (RBDIHS) 44 47 48 49 39: 109 type=165 (RBDIHS) 44 47 48 52 39: 110 type=165 (RBDIHS) 50 47 48 49 39: 111 type=165 (RBDIHS) 50 47 48 52 39: 112 type=165 (RBDIHS) 44 47 50 51 39: 113 type=165 (RBDIHS) 44 47 50 54 39: 114 type=165 (RBDIHS) 48 47 50 51 39: 115 type=165 (RBDIHS) 48 47 50 54 39: 116 type=165 (RBDIHS) 47 48 52 53 39: 117 type=165 (RBDIHS) 47 48 52 56 39: 118 type=165 (RBDIHS) 49 48 52 53 39: 119 type=165 (RBDIHS) 49 48 52 56 39: 120 type=165 (RBDIHS) 47 50 54 55 39: 121 type=165 (RBDIHS) 47 50 54 56 39: 122 type=165 (RBDIHS) 51 50 54 55 39: 123 type=165 (RBDIHS) 51 50 54 56 39: 124 type=165 (RBDIHS) 48 52 56 54 39: 125 type=165 (RBDIHS) 48 52 56 57 39: 126 type=165 (RBDIHS) 53 52 56 54 39: 127 type=165 (RBDIHS) 53 52 56 57 39: 128 type=165 (RBDIHS) 50 54 56 52 39: 129 type=165 (RBDIHS) 50 54 56 57 39: 130 type=165 (RBDIHS) 55 54 56 52 39: 131 type=165 (RBDIHS) 55 54 56 57 39: 132 type=155 (RBDIHS) 42 58 60 61 39: 133 type=156 (RBDIHS) 42 58 60 62 39: 134 type=155 (RBDIHS) 59 58 60 61 39: 135 type=157 (RBDIHS) 59 58 60 62 39: 136 type=159 (RBDIHS) 58 60 62 65 39: 137 type=150 (RBDIHS) 60 62 65 67 39: 138 type=155 (RBDIHS) 62 65 67 68 39: 139 type=156 (RBDIHS) 62 65 67 69 39: 140 type=155 (RBDIHS) 66 65 67 68 39: 141 type=157 (RBDIHS) 66 65 67 69 39: 142 type=158 (RBDIHS) 65 67 69 71 39: 143 type=159 (RBDIHS) 65 67 69 89 39: 144 type=166 (RBDIHS) 67 69 71 74 39: 145 type=167 (RBDIHS) 89 69 71 74 39: 146 type=147 (RBDIHS) 67 69 71 72 39: 147 type=147 (RBDIHS) 67 69 71 73 39: 148 type=148 (RBDIHS) 70 69 71 72 39: 149 type=148 (RBDIHS) 70 69 71 73 39: 150 type=148 (RBDIHS) 70 69 71 74 39: 151 type=149 (RBDIHS) 89 69 71 72 39: 152 type=149 (RBDIHS) 89 69 71 73 39: 153 type=150 (RBDIHS) 67 69 89 91 39: 154 type=151 (RBDIHS) 71 69 89 91 39: 155 type=148 (RBDIHS) 69 71 74 75 39: 156 type=148 (RBDIHS) 69 71 74 76 39: 157 type=152 (RBDIHS) 69 71 74 77 39: 158 type=148 (RBDIHS) 72 71 74 75 39: 159 type=148 (RBDIHS) 72 71 74 76 39: 160 type=148 (RBDIHS) 72 71 74 77 39: 161 type=148 (RBDIHS) 73 71 74 75 39: 162 type=148 (RBDIHS) 73 71 74 76 39: 163 type=148 (RBDIHS) 73 71 74 77 39: 164 type=148 (RBDIHS) 71 74 77 78 39: 165 type=148 (RBDIHS) 71 74 77 79 39: 166 type=153 (RBDIHS) 71 74 77 80 39: 167 type=148 (RBDIHS) 75 74 77 78 39: 168 type=148 (RBDIHS) 75 74 77 79 39: 169 type=168 (RBDIHS) 75 74 77 80 39: 170 type=148 (RBDIHS) 76 74 77 78 39: 171 type=148 (RBDIHS) 76 74 77 79 39: 172 type=168 (RBDIHS) 76 74 77 80 39: 173 type=169 (RBDIHS) 74 77 80 81 39: 174 type=170 (RBDIHS) 74 77 80 82 39: 175 type=171 (RBDIHS) 78 77 80 82 39: 176 type=171 (RBDIHS) 79 77 80 82 39: 177 type=172 (RBDIHS) 77 80 82 83 39: 178 type=172 (RBDIHS) 77 80 82 86 39: 179 type=173 (RBDIHS) 81 80 82 83 39: 180 type=173 (RBDIHS) 81 80 82 86 39: 181 type=173 (RBDIHS) 80 82 83 84 39: 182 type=173 (RBDIHS) 80 82 83 85 39: 183 type=173 (RBDIHS) 86 82 83 84 39: 184 type=173 (RBDIHS) 86 82 83 85 39: 185 type=173 (RBDIHS) 80 82 86 87 39: 186 type=173 (RBDIHS) 80 82 86 88 39: 187 type=173 (RBDIHS) 83 82 86 87 39: 188 type=173 (RBDIHS) 83 82 86 88 39: 189 type=155 (RBDIHS) 69 89 91 92 39: 190 type=156 (RBDIHS) 69 89 91 93 39: 191 type=155 (RBDIHS) 90 89 91 92 39: 192 type=157 (RBDIHS) 90 89 91 93 39: 193 type=158 (RBDIHS) 89 91 93 95 39: 194 type=159 (RBDIHS) 89 91 93 100 39: 195 type=174 (RBDIHS) 91 93 95 98 39: 196 type=175 (RBDIHS) 100 93 95 98 39: 197 type=147 (RBDIHS) 91 93 95 96 39: 198 type=147 (RBDIHS) 91 93 95 97 39: 199 type=148 (RBDIHS) 94 93 95 96 39: 200 type=148 (RBDIHS) 94 93 95 97 39: 201 type=176 (RBDIHS) 94 93 95 98 39: 202 type=149 (RBDIHS) 100 93 95 96 39: 203 type=149 (RBDIHS) 100 93 95 97 39: 204 type=150 (RBDIHS) 91 93 100 102 39: 205 type=151 (RBDIHS) 95 93 100 102 39: 206 type=177 (RBDIHS) 93 95 98 99 39: 207 type=178 (RBDIHS) 96 95 98 99 39: 208 type=178 (RBDIHS) 97 95 98 99 39: 209 type=155 (RBDIHS) 93 100 102 103 39: 210 type=156 (RBDIHS) 93 100 102 104 39: 211 type=155 (RBDIHS) 101 100 102 103 39: 212 type=157 (RBDIHS) 101 100 102 104 39: 213 type=158 (RBDIHS) 100 102 104 106 39: 214 type=159 (RBDIHS) 100 102 104 115 39: 215 type=179 (RBDIHS) 102 104 106 109 39: 216 type=180 (RBDIHS) 115 104 106 109 39: 217 type=147 (RBDIHS) 102 104 106 107 39: 218 type=147 (RBDIHS) 102 104 106 108 39: 219 type=148 (RBDIHS) 105 104 106 107 39: 220 type=148 (RBDIHS) 105 104 106 108 39: 221 type=148 (RBDIHS) 105 104 106 109 39: 222 type=149 (RBDIHS) 115 104 106 107 39: 223 type=149 (RBDIHS) 115 104 106 108 39: 224 type=150 (RBDIHS) 102 104 115 117 39: 225 type=151 (RBDIHS) 106 104 115 117 39: 226 type=148 (RBDIHS) 104 106 109 110 39: 227 type=148 (RBDIHS) 104 106 109 111 39: 228 type=181 (RBDIHS) 104 106 109 112 39: 229 type=148 (RBDIHS) 107 106 109 110 39: 230 type=148 (RBDIHS) 107 106 109 111 39: 231 type=182 (RBDIHS) 107 106 109 112 39: 232 type=148 (RBDIHS) 108 106 109 110 39: 233 type=148 (RBDIHS) 108 106 109 111 39: 234 type=182 (RBDIHS) 108 106 109 112 39: 235 type=183 (RBDIHS) 106 109 112 113 39: 236 type=183 (RBDIHS) 106 109 112 114 39: 237 type=155 (RBDIHS) 104 115 117 118 39: 238 type=156 (RBDIHS) 104 115 117 119 39: 239 type=155 (RBDIHS) 116 115 117 118 39: 240 type=157 (RBDIHS) 116 115 117 119 39: 241 type=158 (RBDIHS) 115 117 119 121 39: 242 type=159 (RBDIHS) 115 117 119 134 39: 243 type=184 (RBDIHS) 117 119 121 124 39: 244 type=185 (RBDIHS) 134 119 121 124 39: 245 type=147 (RBDIHS) 117 119 121 122 39: 246 type=147 (RBDIHS) 117 119 121 123 39: 247 type=148 (RBDIHS) 120 119 121 122 39: 248 type=148 (RBDIHS) 120 119 121 123 39: 249 type=148 (RBDIHS) 120 119 121 124 39: 250 type=149 (RBDIHS) 134 119 121 122 39: 251 type=149 (RBDIHS) 134 119 121 123 39: 252 type=150 (RBDIHS) 117 119 134 136 39: 253 type=151 (RBDIHS) 121 119 134 136 39: 254 type=148 (RBDIHS) 119 121 124 125 39: 255 type=152 (RBDIHS) 119 121 124 126 39: 256 type=152 (RBDIHS) 119 121 124 130 39: 257 type=148 (RBDIHS) 122 121 124 125 39: 258 type=148 (RBDIHS) 122 121 124 126 39: 259 type=148 (RBDIHS) 122 121 124 130 39: 260 type=148 (RBDIHS) 123 121 124 125 39: 261 type=148 (RBDIHS) 123 121 124 126 39: 262 type=148 (RBDIHS) 123 121 124 130 39: 263 type=148 (RBDIHS) 121 124 126 127 39: 264 type=148 (RBDIHS) 121 124 126 128 39: 265 type=148 (RBDIHS) 121 124 126 129 39: 266 type=148 (RBDIHS) 125 124 126 127 39: 267 type=148 (RBDIHS) 125 124 126 128 39: 268 type=148 (RBDIHS) 125 124 126 129 39: 269 type=148 (RBDIHS) 130 124 126 127 39: 270 type=148 (RBDIHS) 130 124 126 128 39: 271 type=148 (RBDIHS) 130 124 126 129 39: 272 type=148 (RBDIHS) 121 124 130 131 39: 273 type=148 (RBDIHS) 121 124 130 132 39: 274 type=148 (RBDIHS) 121 124 130 133 39: 275 type=148 (RBDIHS) 125 124 130 131 39: 276 type=148 (RBDIHS) 125 124 130 132 39: 277 type=148 (RBDIHS) 125 124 130 133 39: 278 type=148 (RBDIHS) 126 124 130 131 39: 279 type=148 (RBDIHS) 126 124 130 132 39: 280 type=148 (RBDIHS) 126 124 130 133 39: 281 type=155 (RBDIHS) 119 134 136 137 39: 282 type=156 (RBDIHS) 119 134 136 138 39: 283 type=155 (RBDIHS) 135 134 136 137 39: 284 type=157 (RBDIHS) 135 134 136 138 39: 285 type=158 (RBDIHS) 134 136 138 140 39: 286 type=159 (RBDIHS) 134 136 138 144 39: 287 type=147 (RBDIHS) 136 138 140 141 39: 288 type=147 (RBDIHS) 136 138 140 142 39: 289 type=147 (RBDIHS) 136 138 140 143 39: 290 type=148 (RBDIHS) 139 138 140 141 39: 291 type=148 (RBDIHS) 139 138 140 142 39: 292 type=148 (RBDIHS) 139 138 140 143 39: 293 type=149 (RBDIHS) 144 138 140 141 39: 294 type=149 (RBDIHS) 144 138 140 142 39: 295 type=149 (RBDIHS) 144 138 140 143 39: 296 type=150 (RBDIHS) 136 138 144 146 39: 297 type=151 (RBDIHS) 140 138 144 146 39: 298 type=155 (RBDIHS) 138 144 146 147 39: 299 type=156 (RBDIHS) 138 144 146 148 39: 300 type=155 (RBDIHS) 145 144 146 147 39: 301 type=157 (RBDIHS) 145 144 146 148 39: 302 type=158 (RBDIHS) 144 146 148 150 39: 303 type=159 (RBDIHS) 144 146 148 154 39: 304 type=147 (RBDIHS) 146 148 150 151 39: 305 type=147 (RBDIHS) 146 148 150 152 39: 306 type=147 (RBDIHS) 146 148 150 153 39: 307 type=148 (RBDIHS) 149 148 150 151 39: 308 type=148 (RBDIHS) 149 148 150 152 39: 309 type=148 (RBDIHS) 149 148 150 153 39: 310 type=149 (RBDIHS) 154 148 150 151 39: 311 type=149 (RBDIHS) 154 148 150 152 39: 312 type=149 (RBDIHS) 154 148 150 153 39: Restricted Dih.: 39: nr: 0 39: CBT Dih.: 39: nr: 0 39: Fourier Dih.: 39: nr: 0 39: Improper Dih.: 39: nr: 0 39: Improper Dih.: 39: nr: 0 39: Tab. Dih.: 39: nr: 0 39: CMAP Dih.: 39: nr: 0 39: GB 1-2 Pol. (unused): 39: nr: 0 39: GB 1-3 Pol. (unused): 39: nr: 0 39: GB 1-4 Pol. (unused): 39: nr: 0 39: GB Polarization (unused): 39: nr: 0 39: Nonpolar Sol. (unused): 39: nr: 0 39: LJ-14: 39: nr: 1197 39: iatoms: 39: 0 type=186 (LJ14) 0 7 39: 1 type=186 (LJ14) 0 8 39: 2 type=187 (LJ14) 0 9 39: 3 type=188 (LJ14) 0 23 39: 4 type=189 (LJ14) 0 24 39: 5 type=190 (LJ14) 1 5 39: 6 type=190 (LJ14) 1 6 39: 7 type=190 (LJ14) 1 22 39: 8 type=190 (LJ14) 2 5 39: 9 type=190 (LJ14) 2 6 39: 10 type=190 (LJ14) 2 22 39: 11 type=190 (LJ14) 3 5 39: 12 type=190 (LJ14) 3 6 39: 13 type=190 (LJ14) 3 22 39: 14 type=191 (LJ14) 4 10 39: 15 type=191 (LJ14) 4 11 39: 16 type=192 (LJ14) 4 12 39: 17 type=190 (LJ14) 4 25 39: 18 type=192 (LJ14) 4 26 39: 19 type=193 (LJ14) 5 7 39: 20 type=193 (LJ14) 5 8 39: 21 type=191 (LJ14) 5 9 39: 22 type=194 (LJ14) 5 23 39: 23 type=186 (LJ14) 5 24 39: 24 type=191 (LJ14) 6 13 39: 25 type=191 (LJ14) 6 14 39: 26 type=192 (LJ14) 6 15 39: 27 type=195 (LJ14) 6 23 39: 28 type=187 (LJ14) 6 24 39: 29 type=193 (LJ14) 7 10 39: 30 type=193 (LJ14) 7 11 39: 31 type=191 (LJ14) 7 12 39: 32 type=196 (LJ14) 7 22 39: 33 type=193 (LJ14) 8 10 39: 34 type=193 (LJ14) 8 11 39: 35 type=191 (LJ14) 8 12 39: 36 type=196 (LJ14) 8 22 39: 37 type=191 (LJ14) 9 16 39: 38 type=191 (LJ14) 9 17 39: 39 type=187 (LJ14) 9 18 39: 40 type=197 (LJ14) 9 22 39: 41 type=193 (LJ14) 10 13 39: 42 type=193 (LJ14) 10 14 39: 43 type=191 (LJ14) 10 15 39: 44 type=193 (LJ14) 11 13 39: 45 type=193 (LJ14) 11 14 39: 46 type=191 (LJ14) 11 15 39: 47 type=190 (LJ14) 12 19 39: 48 type=190 (LJ14) 12 20 39: 49 type=190 (LJ14) 12 21 39: 50 type=193 (LJ14) 13 16 39: 51 type=193 (LJ14) 13 17 39: 52 type=186 (LJ14) 13 18 39: 53 type=193 (LJ14) 14 16 39: 54 type=193 (LJ14) 14 17 39: 55 type=186 (LJ14) 14 18 39: 56 type=190 (LJ14) 16 19 39: 57 type=190 (LJ14) 16 20 39: 58 type=190 (LJ14) 16 21 39: 59 type=190 (LJ14) 17 19 39: 60 type=190 (LJ14) 17 20 39: 61 type=190 (LJ14) 17 21 39: 62 type=196 (LJ14) 22 27 39: 63 type=197 (LJ14) 22 28 39: 64 type=198 (LJ14) 22 38 39: 65 type=190 (LJ14) 23 25 39: 66 type=195 (LJ14) 23 26 39: 67 type=186 (LJ14) 24 29 39: 68 type=187 (LJ14) 24 30 39: 69 type=187 (LJ14) 24 34 39: 70 type=188 (LJ14) 24 39 39: 71 type=189 (LJ14) 24 40 39: 72 type=190 (LJ14) 25 27 39: 73 type=190 (LJ14) 25 28 39: 74 type=190 (LJ14) 25 38 39: 75 type=191 (LJ14) 26 31 39: 76 type=191 (LJ14) 26 32 39: 77 type=191 (LJ14) 26 33 39: 78 type=191 (LJ14) 26 35 39: 79 type=191 (LJ14) 26 36 39: 80 type=191 (LJ14) 26 37 39: 81 type=190 (LJ14) 26 41 39: 82 type=192 (LJ14) 26 42 39: 83 type=193 (LJ14) 27 29 39: 84 type=191 (LJ14) 27 30 39: 85 type=191 (LJ14) 27 34 39: 86 type=194 (LJ14) 27 39 39: 87 type=186 (LJ14) 27 40 39: 88 type=195 (LJ14) 28 39 39: 89 type=187 (LJ14) 28 40 39: 90 type=193 (LJ14) 29 31 39: 91 type=193 (LJ14) 29 32 39: 92 type=193 (LJ14) 29 33 39: 93 type=193 (LJ14) 29 35 39: 94 type=193 (LJ14) 29 36 39: 95 type=193 (LJ14) 29 37 39: 96 type=196 (LJ14) 29 38 39: 97 type=191 (LJ14) 30 35 39: 98 type=191 (LJ14) 30 36 39: 99 type=191 (LJ14) 30 37 39: 100 type=197 (LJ14) 30 38 39: 101 type=191 (LJ14) 31 34 39: 102 type=191 (LJ14) 32 34 39: 103 type=191 (LJ14) 33 34 39: 104 type=197 (LJ14) 34 38 39: 105 type=196 (LJ14) 38 43 39: 106 type=197 (LJ14) 38 44 39: 107 type=198 (LJ14) 38 58 39: 108 type=190 (LJ14) 39 41 39: 109 type=195 (LJ14) 39 42 39: 110 type=186 (LJ14) 40 45 39: 111 type=186 (LJ14) 40 46 39: 112 type=199 (LJ14) 40 47 39: 113 type=188 (LJ14) 40 59 39: 114 type=189 (LJ14) 40 60 39: 115 type=190 (LJ14) 41 43 39: 116 type=190 (LJ14) 41 44 39: 117 type=190 (LJ14) 41 58 39: 118 type=200 (LJ14) 42 48 39: 119 type=200 (LJ14) 42 50 39: 120 type=190 (LJ14) 42 61 39: 121 type=192 (LJ14) 42 62 39: 122 type=193 (LJ14) 43 45 39: 123 type=193 (LJ14) 43 46 39: 124 type=201 (LJ14) 43 47 39: 125 type=194 (LJ14) 43 59 39: 126 type=186 (LJ14) 43 60 39: 127 type=202 (LJ14) 44 49 39: 128 type=202 (LJ14) 44 51 39: 129 type=200 (LJ14) 44 52 39: 130 type=200 (LJ14) 44 54 39: 131 type=195 (LJ14) 44 59 39: 132 type=187 (LJ14) 44 60 39: 133 type=201 (LJ14) 45 48 39: 134 type=201 (LJ14) 45 50 39: 135 type=196 (LJ14) 45 58 39: 136 type=201 (LJ14) 46 48 39: 137 type=201 (LJ14) 46 50 39: 138 type=196 (LJ14) 46 58 39: 139 type=203 (LJ14) 47 53 39: 140 type=203 (LJ14) 47 55 39: 141 type=204 (LJ14) 47 56 39: 142 type=205 (LJ14) 47 58 39: 143 type=203 (LJ14) 48 51 39: 144 type=204 (LJ14) 48 54 39: 145 type=203 (LJ14) 48 57 39: 146 type=203 (LJ14) 49 50 39: 147 type=206 (LJ14) 49 53 39: 148 type=203 (LJ14) 49 56 39: 149 type=204 (LJ14) 50 52 39: 150 type=203 (LJ14) 50 57 39: 151 type=206 (LJ14) 51 55 39: 152 type=203 (LJ14) 51 56 39: 153 type=203 (LJ14) 52 55 39: 154 type=203 (LJ14) 53 54 39: 155 type=206 (LJ14) 53 57 39: 156 type=206 (LJ14) 55 57 39: 157 type=196 (LJ14) 58 63 39: 158 type=196 (LJ14) 58 64 39: 159 type=198 (LJ14) 58 65 39: 160 type=190 (LJ14) 59 61 39: 161 type=195 (LJ14) 59 62 39: 162 type=188 (LJ14) 60 66 39: 163 type=189 (LJ14) 60 67 39: 164 type=190 (LJ14) 61 63 39: 165 type=190 (LJ14) 61 64 39: 166 type=190 (LJ14) 61 65 39: 167 type=190 (LJ14) 62 68 39: 168 type=192 (LJ14) 62 69 39: 169 type=194 (LJ14) 63 66 39: 170 type=186 (LJ14) 63 67 39: 171 type=194 (LJ14) 64 66 39: 172 type=186 (LJ14) 64 67 39: 173 type=196 (LJ14) 65 70 39: 174 type=197 (LJ14) 65 71 39: 175 type=198 (LJ14) 65 89 39: 176 type=190 (LJ14) 66 68 39: 177 type=195 (LJ14) 66 69 39: 178 type=186 (LJ14) 67 72 39: 179 type=186 (LJ14) 67 73 39: 180 type=187 (LJ14) 67 74 39: 181 type=188 (LJ14) 67 90 39: 182 type=189 (LJ14) 67 91 39: 183 type=190 (LJ14) 68 70 39: 184 type=190 (LJ14) 68 71 39: 185 type=190 (LJ14) 68 89 39: 186 type=191 (LJ14) 69 75 39: 187 type=191 (LJ14) 69 76 39: 188 type=192 (LJ14) 69 77 39: 189 type=190 (LJ14) 69 92 39: 190 type=192 (LJ14) 69 93 39: 191 type=193 (LJ14) 70 72 39: 192 type=193 (LJ14) 70 73 39: 193 type=191 (LJ14) 70 74 39: 194 type=194 (LJ14) 70 90 39: 195 type=186 (LJ14) 70 91 39: 196 type=191 (LJ14) 71 78 39: 197 type=191 (LJ14) 71 79 39: 198 type=187 (LJ14) 71 80 39: 199 type=195 (LJ14) 71 90 39: 200 type=187 (LJ14) 71 91 39: 201 type=193 (LJ14) 72 75 39: 202 type=193 (LJ14) 72 76 39: 203 type=191 (LJ14) 72 77 39: 204 type=196 (LJ14) 72 89 39: 205 type=193 (LJ14) 73 75 39: 206 type=193 (LJ14) 73 76 39: 207 type=191 (LJ14) 73 77 39: 208 type=196 (LJ14) 73 89 39: 209 type=190 (LJ14) 74 81 39: 210 type=207 (LJ14) 74 82 39: 211 type=197 (LJ14) 74 89 39: 212 type=193 (LJ14) 75 78 39: 213 type=193 (LJ14) 75 79 39: 214 type=186 (LJ14) 75 80 39: 215 type=193 (LJ14) 76 78 39: 216 type=193 (LJ14) 76 79 39: 217 type=186 (LJ14) 76 80 39: 218 type=187 (LJ14) 77 83 39: 219 type=187 (LJ14) 77 86 39: 220 type=190 (LJ14) 78 81 39: 221 type=208 (LJ14) 78 82 39: 222 type=190 (LJ14) 79 81 39: 223 type=208 (LJ14) 79 82 39: 224 type=190 (LJ14) 80 84 39: 225 type=190 (LJ14) 80 85 39: 226 type=190 (LJ14) 80 87 39: 227 type=190 (LJ14) 80 88 39: 228 type=190 (LJ14) 81 83 39: 229 type=190 (LJ14) 81 86 39: 230 type=190 (LJ14) 83 87 39: 231 type=190 (LJ14) 83 88 39: 232 type=190 (LJ14) 84 86 39: 233 type=190 (LJ14) 85 86 39: 234 type=196 (LJ14) 89 94 39: 235 type=197 (LJ14) 89 95 39: 236 type=198 (LJ14) 89 100 39: 237 type=190 (LJ14) 90 92 39: 238 type=195 (LJ14) 90 93 39: 239 type=186 (LJ14) 91 96 39: 240 type=186 (LJ14) 91 97 39: 241 type=209 (LJ14) 91 98 39: 242 type=188 (LJ14) 91 101 39: 243 type=189 (LJ14) 91 102 39: 244 type=190 (LJ14) 92 94 39: 245 type=190 (LJ14) 92 95 39: 246 type=190 (LJ14) 92 100 39: 247 type=190 (LJ14) 93 99 39: 248 type=190 (LJ14) 93 103 39: 249 type=192 (LJ14) 93 104 39: 250 type=193 (LJ14) 94 96 39: 251 type=193 (LJ14) 94 97 39: 252 type=210 (LJ14) 94 98 39: 253 type=194 (LJ14) 94 101 39: 254 type=186 (LJ14) 94 102 39: 255 type=195 (LJ14) 95 101 39: 256 type=187 (LJ14) 95 102 39: 257 type=190 (LJ14) 96 99 39: 258 type=196 (LJ14) 96 100 39: 259 type=190 (LJ14) 97 99 39: 260 type=196 (LJ14) 97 100 39: 261 type=211 (LJ14) 98 100 39: 262 type=196 (LJ14) 100 105 39: 263 type=197 (LJ14) 100 106 39: 264 type=198 (LJ14) 100 115 39: 265 type=190 (LJ14) 101 103 39: 266 type=195 (LJ14) 101 104 39: 267 type=186 (LJ14) 102 107 39: 268 type=186 (LJ14) 102 108 39: 269 type=187 (LJ14) 102 109 39: 270 type=188 (LJ14) 102 116 39: 271 type=189 (LJ14) 102 117 39: 272 type=190 (LJ14) 103 105 39: 273 type=190 (LJ14) 103 106 39: 274 type=190 (LJ14) 103 115 39: 275 type=191 (LJ14) 104 110 39: 276 type=191 (LJ14) 104 111 39: 277 type=197 (LJ14) 104 112 39: 278 type=190 (LJ14) 104 118 39: 279 type=192 (LJ14) 104 119 39: 280 type=193 (LJ14) 105 107 39: 281 type=193 (LJ14) 105 108 39: 282 type=191 (LJ14) 105 109 39: 283 type=194 (LJ14) 105 116 39: 284 type=186 (LJ14) 105 117 39: 285 type=195 (LJ14) 106 113 39: 286 type=195 (LJ14) 106 114 39: 287 type=195 (LJ14) 106 116 39: 288 type=187 (LJ14) 106 117 39: 289 type=193 (LJ14) 107 110 39: 290 type=193 (LJ14) 107 111 39: 291 type=196 (LJ14) 107 112 39: 292 type=196 (LJ14) 107 115 39: 293 type=193 (LJ14) 108 110 39: 294 type=193 (LJ14) 108 111 39: 295 type=196 (LJ14) 108 112 39: 296 type=196 (LJ14) 108 115 39: 297 type=197 (LJ14) 109 115 39: 298 type=194 (LJ14) 110 113 39: 299 type=194 (LJ14) 110 114 39: 300 type=194 (LJ14) 111 113 39: 301 type=194 (LJ14) 111 114 39: 302 type=196 (LJ14) 115 120 39: 303 type=197 (LJ14) 115 121 39: 304 type=198 (LJ14) 115 134 39: 305 type=190 (LJ14) 116 118 39: 306 type=195 (LJ14) 116 119 39: 307 type=186 (LJ14) 117 122 39: 308 type=186 (LJ14) 117 123 39: 309 type=187 (LJ14) 117 124 39: 310 type=188 (LJ14) 117 135 39: 311 type=189 (LJ14) 117 136 39: 312 type=190 (LJ14) 118 120 39: 313 type=190 (LJ14) 118 121 39: 314 type=190 (LJ14) 118 134 39: 315 type=191 (LJ14) 119 125 39: 316 type=192 (LJ14) 119 126 39: 317 type=192 (LJ14) 119 130 39: 318 type=190 (LJ14) 119 137 39: 319 type=192 (LJ14) 119 138 39: 320 type=193 (LJ14) 120 122 39: 321 type=193 (LJ14) 120 123 39: 322 type=191 (LJ14) 120 124 39: 323 type=194 (LJ14) 120 135 39: 324 type=186 (LJ14) 120 136 39: 325 type=191 (LJ14) 121 127 39: 326 type=191 (LJ14) 121 128 39: 327 type=191 (LJ14) 121 129 39: 328 type=191 (LJ14) 121 131 39: 329 type=191 (LJ14) 121 132 39: 330 type=191 (LJ14) 121 133 39: 331 type=195 (LJ14) 121 135 39: 332 type=187 (LJ14) 121 136 39: 333 type=193 (LJ14) 122 125 39: 334 type=191 (LJ14) 122 126 39: 335 type=191 (LJ14) 122 130 39: 336 type=196 (LJ14) 122 134 39: 337 type=193 (LJ14) 123 125 39: 338 type=191 (LJ14) 123 126 39: 339 type=191 (LJ14) 123 130 39: 340 type=196 (LJ14) 123 134 39: 341 type=197 (LJ14) 124 134 39: 342 type=193 (LJ14) 125 127 39: 343 type=193 (LJ14) 125 128 39: 344 type=193 (LJ14) 125 129 39: 345 type=193 (LJ14) 125 131 39: 346 type=193 (LJ14) 125 132 39: 347 type=193 (LJ14) 125 133 39: 348 type=191 (LJ14) 126 131 39: 349 type=191 (LJ14) 126 132 39: 350 type=191 (LJ14) 126 133 39: 351 type=191 (LJ14) 127 130 39: 352 type=191 (LJ14) 128 130 39: 353 type=191 (LJ14) 129 130 39: 354 type=196 (LJ14) 134 139 39: 355 type=197 (LJ14) 134 140 39: 356 type=198 (LJ14) 134 144 39: 357 type=190 (LJ14) 135 137 39: 358 type=195 (LJ14) 135 138 39: 359 type=186 (LJ14) 136 141 39: 360 type=186 (LJ14) 136 142 39: 361 type=186 (LJ14) 136 143 39: 362 type=188 (LJ14) 136 145 39: 363 type=189 (LJ14) 136 146 39: 364 type=190 (LJ14) 137 139 39: 365 type=190 (LJ14) 137 140 39: 366 type=190 (LJ14) 137 144 39: 367 type=190 (LJ14) 138 147 39: 368 type=192 (LJ14) 138 148 39: 369 type=193 (LJ14) 139 141 39: 370 type=193 (LJ14) 139 142 39: 371 type=193 (LJ14) 139 143 39: 372 type=194 (LJ14) 139 145 39: 373 type=186 (LJ14) 139 146 39: 374 type=195 (LJ14) 140 145 39: 375 type=187 (LJ14) 140 146 39: 376 type=196 (LJ14) 141 144 39: 377 type=196 (LJ14) 142 144 39: 378 type=196 (LJ14) 143 144 39: 379 type=196 (LJ14) 144 149 39: 380 type=197 (LJ14) 144 150 39: 381 type=198 (LJ14) 144 154 39: 382 type=190 (LJ14) 145 147 39: 383 type=195 (LJ14) 145 148 39: 384 type=186 (LJ14) 146 151 39: 385 type=186 (LJ14) 146 152 39: 386 type=186 (LJ14) 146 153 39: 387 type=188 (LJ14) 146 155 39: 388 type=190 (LJ14) 147 149 39: 389 type=190 (LJ14) 147 150 39: 390 type=190 (LJ14) 147 154 39: 391 type=193 (LJ14) 149 151 39: 392 type=193 (LJ14) 149 152 39: 393 type=193 (LJ14) 149 153 39: 394 type=194 (LJ14) 149 155 39: 395 type=195 (LJ14) 150 155 39: 396 type=196 (LJ14) 151 154 39: 397 type=196 (LJ14) 152 154 39: 398 type=196 (LJ14) 153 154 39: Coulomb-14: 39: nr: 0 39: LJC-14 q: 39: nr: 0 39: LJC Pairs NB: 39: nr: 0 39: LJ (SR): 39: nr: 0 39: Buck.ham (SR): 39: nr: 0 39: LJ (unused): 39: nr: 0 39: B.ham (unused): 39: nr: 0 39: Disper. corr.: 39: nr: 0 39: Coulomb (SR): 39: nr: 0 39: Coul (unused): 39: nr: 0 39: RF excl.: 39: nr: 0 39: Coul. recip.: 39: nr: 0 39: LJ recip.: 39: nr: 0 39: DPD: 39: nr: 0 39: Polarization: 39: nr: 0 39: Water Pol.: 39: nr: 0 39: Thole Pol.: 39: nr: 0 39: Anharm. Pol.: 39: nr: 0 39: Position Rest.: 39: nr: 0 39: Flat-bottom posres: 39: nr: 0 39: Dis. Rest.: 39: nr: 0 39: D.R.Viol. (nm): 39: nr: 0 39: Orient. Rest.: 39: nr: 0 39: Ori. R. RMSD: 39: nr: 0 39: Angle Rest.: 39: nr: 0 39: Angle Rest. Z: 39: nr: 0 39: Dih. Rest.: 39: nr: 0 39: Dih. Rest. Viol.: 39: nr: 0 39: Constraint: 39: nr: 0 39: Constr. No Conn.: 39: nr: 0 39: Settle: 39: nr: 0 39: Virtual site 2: 39: nr: 0 39: Virtual site 2fd: 39: nr: 0 39: Virtual site 3: 39: nr: 0 39: Virtual site 3fd: 39: nr: 0 39: Virtual site 3fad: 39: nr: 0 39: Virtual site 3out: 39: nr: 0 39: Virtual site 4fd: 39: nr: 0 39: Virtual site 4fdn: 39: nr: 0 39: Virtual site N: 39: nr: 0 39: COM Pull En.: 39: nr: 0 39: Density fitting: 39: nr: 0 39: Quantum En.: 39: nr: 0 39: Potential: 39: nr: 0 39: Kinetic En.: 39: nr: 0 39: Total Energy: 39: nr: 0 39: Conserved En.: 39: nr: 0 39: Temperature: 39: nr: 0 39: Vir. Temp. (not used): 39: nr: 0 39: Pres. DC: 39: nr: 0 39: Pressure: 39: nr: 0 39: dH/dl constr.: 39: nr: 0 39: dVremain/dl: 39: nr: 0 39: dEkin/dl: 39: nr: 0 39: dVcoul/dl: 39: nr: 0 39: dVvdw/dl: 39: nr: 0 39: dVbonded/dl: 39: nr: 0 39: dVrestraint/dl: 39: nr: 0 39: dVtemperature/dl: 39: nr: 0 39: grp[T-Coupling ] nr=1, name=[ rest] 39: grp[Energy Mon. ] nr=1, name=[ rest] 39: grp[Acceleration] nr=1, name=[ rest] 39: grp[Freeze ] nr=1, name=[ rest] 39: grp[User1 ] nr=1, name=[ rest] 39: grp[User2 ] nr=1, name=[ rest] 39: grp[VCM ] nr=1, name=[ rest] 39: grp[Compressed X] nr=1, name=[ rest] 39: grp[Or. Res. Fit] nr=1, name=[ rest] 39: grp[QMMM ] nr=1, name=[ rest] 39: grpname (11): 39: grpname[0]={name="System"} 39: grpname[1]={name="Protein"} 39: grpname[2]={name="Protein-H"} 39: grpname[3]={name="C-alpha"} 39: grpname[4]={name="Backbone"} 39: grpname[5]={name="MainChain"} 39: grpname[6]={name="MainChain+Cb"} 39: grpname[7]={name="MainChain+H"} 39: grpname[8]={name="SideChain"} 39: grpname[9]={name="SideChain-H"} 39: grpname[10]={name="rest"} 39: groups T-Cou Energ Accel Freez User1 User2 VCM Compr Or. R QMMM 39: allocated 0 0 0 0 0 0 0 0 0 0 39: groupnr[ *] = 0 0 0 0 0 0 0 0 0 0 39: box (3x3): 39: box[ 0]={ 5.90620e+00, 0.00000e+00, 0.00000e+00} 39: box[ 1]={ 0.00000e+00, 6.84510e+00, 0.00000e+00} 39: box[ 2]={ 0.00000e+00, 0.00000e+00, 3.05170e+00} 39: box_rel (3x3): 39: box_rel[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: box_rel[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: box_rel[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: boxv (3x3): 39: boxv[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: boxv[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: boxv[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: pres_prev (3x3): 39: pres_prev[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: pres_prev[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: pres_prev[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: svir_prev (3x3): 39: svir_prev[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: svir_prev[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: svir_prev[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: fvir_prev (3x3): 39: fvir_prev[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: fvir_prev[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: fvir_prev[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: nosehoover_xi: not available 39: x (156x3): 39: x[ 0]={ 3.53600e+00, 2.23400e+00, -1.19800e+00} 39: x[ 1]={ 3.61200e+00, 2.28800e+00, -1.23600e+00} 39: x[ 2]={ 3.47000e+00, 2.21400e+00, -1.27000e+00} 39: x[ 3]={ 3.49200e+00, 2.28600e+00, -1.12500e+00} 39: x[ 4]={ 3.58900e+00, 2.10700e+00, -1.14300e+00} 39: x[ 5]={ 3.63300e+00, 2.05500e+00, -1.21600e+00} 39: x[ 6]={ 3.68700e+00, 2.14400e+00, -1.03100e+00} 39: x[ 7]={ 3.76300e+00, 2.19500e+00, -1.07000e+00} 39: x[ 8]={ 3.63900e+00, 2.20100e+00, -9.64000e-01} 39: x[ 9]={ 3.74500e+00, 2.02500e+00, -9.56000e-01} 39: x[ 10]={ 3.67600e+00, 1.98900e+00, -8.94000e-01} 39: x[ 11]={ 3.77000e+00, 1.95400e+00, -1.02300e+00} 39: x[ 12]={ 3.86900e+00, 2.06500e+00, -8.77000e-01} 39: x[ 13]={ 3.94500e+00, 2.08300e+00, -9.40000e-01} 39: x[ 14]={ 3.84900e+00, 2.14700e+00, -8.24000e-01} 39: x[ 15]={ 3.90600e+00, 1.95100e+00, -7.84000e-01} 39: x[ 16]={ 3.84100e+00, 1.94600e+00, -7.08000e-01} 39: x[ 17]={ 3.90600e+00, 1.86400e+00, -8.33000e-01} 39: x[ 18]={ 4.04200e+00, 1.97700e+00, -7.30000e-01} 39: x[ 19]={ 4.06900e+00, 1.90300e+00, -6.68000e-01} 39: x[ 20]={ 4.10800e+00, 1.98200e+00, -8.06000e-01} 39: x[ 21]={ 4.04200e+00, 2.06400e+00, -6.80000e-01} 39: x[ 22]={ 3.47400e+00, 2.02600e+00, -1.08400e+00} 39: x[ 23]={ 3.39500e+00, 2.08100e+00, -1.00800e+00} 39: x[ 24]={ 3.47400e+00, 1.89600e+00, -1.10400e+00} 39: x[ 25]={ 3.53600e+00, 1.86000e+00, -1.17400e+00} 39: x[ 26]={ 3.39000e+00, 1.80000e+00, -1.03300e+00} 39: x[ 27]={ 3.31700e+00, 1.85200e+00, -9.90000e-01} 39: x[ 28]={ 3.31400e+00, 1.70300e+00, -1.12300e+00} 39: x[ 29]={ 3.38600e+00, 1.65200e+00, -1.17000e+00} 39: x[ 30]={ 3.22500e+00, 1.60800e+00, -1.04300e+00} 39: x[ 31]={ 3.17700e+00, 1.54700e+00, -1.10600e+00} 39: x[ 32]={ 3.28200e+00, 1.55500e+00, -9.81000e-01} 39: x[ 33]={ 3.15800e+00, 1.66100e+00, -9.91000e-01} 39: x[ 34]={ 3.22900e+00, 1.77100e+00, -1.22900e+00} 39: x[ 35]={ 3.18300e+00, 1.70200e+00, -1.28400e+00} 39: x[ 36]={ 3.16200e+00, 1.83000e+00, -1.18500e+00} 39: x[ 37]={ 3.28800e+00, 1.82700e+00, -1.28800e+00} 39: x[ 38]={ 3.48000e+00, 1.73100e+00, -9.29000e-01} 39: x[ 39]={ 3.57600e+00, 1.66100e+00, -9.66000e-01} 39: x[ 40]={ 3.44900e+00, 1.75500e+00, -8.04000e-01} 39: x[ 41]={ 3.37500e+00, 1.81900e+00, -7.84000e-01} 39: x[ 42]={ 3.51900e+00, 1.69000e+00, -6.92000e-01} 39: x[ 43]={ 3.61500e+00, 1.69700e+00, -7.17000e-01} 39: x[ 44]={ 3.49700e+00, 1.76300e+00, -5.59000e-01} 39: x[ 45]={ 3.40500e+00, 1.80200e+00, -5.58000e-01} 39: x[ 46]={ 3.50600e+00, 1.69800e+00, -4.84000e-01} 39: x[ 47]={ 3.59400e+00, 1.87400e+00, -5.38000e-01} 39: x[ 48]={ 3.56700e+00, 2.00500e+00, -5.80000e-01} 39: x[ 49]={ 3.48100e+00, 2.02500e+00, -6.27000e-01} 39: x[ 50]={ 3.70000e+00, 1.85600e+00, -4.47000e-01} 39: x[ 51]={ 3.71300e+00, 1.76600e+00, -4.05000e-01} 39: x[ 52]={ 3.65800e+00, 2.10800e+00, -5.57000e-01} 39: x[ 53]={ 3.64800e+00, 2.19500e+00, -6.04000e-01} 39: x[ 54]={ 3.78700e+00, 1.95900e+00, -4.16000e-01} 39: x[ 55]={ 3.86600e+00, 1.94200e+00, -3.57000e-01} 39: x[ 56]={ 3.76400e+00, 2.08700e+00, -4.67000e-01} 39: x[ 57]={ 3.82200e+00, 2.16400e+00, -4.39000e-01} 39: x[ 58]={ 3.47400e+00, 1.54400e+00, -6.77000e-01} 39: x[ 59]={ 3.35200e+00, 1.51600e+00, -6.86000e-01} 39: x[ 60]={ 3.57200e+00, 1.46400e+00, -6.33000e-01} 39: x[ 61]={ 3.66700e+00, 1.49500e+00, -6.32000e-01} 39: x[ 62]={ 3.53700e+00, 1.32800e+00, -5.87000e-01} 39: x[ 63]={ 3.46200e+00, 1.29200e+00, -6.43000e-01} 39: x[ 64]={ 3.61600e+00, 1.26800e+00, -5.94000e-01} 39: x[ 65]={ 3.49200e+00, 1.34200e+00, -4.42000e-01} 39: x[ 66]={ 3.53000e+00, 1.44000e+00, -3.78000e-01} 39: x[ 67]={ 3.40500e+00, 1.25400e+00, -3.97000e-01} 39: x[ 68]={ 3.37100e+00, 1.18400e+00, -4.60000e-01} 39: x[ 69]={ 3.35600e+00, 1.25400e+00, -2.59000e-01} 39: x[ 70]={ 3.29800e+00, 1.33400e+00, -2.52000e-01} 39: x[ 71]={ 3.27600e+00, 1.12600e+00, -2.33000e-01} 39: x[ 72]={ 3.20000e+00, 1.12200e+00, -2.97000e-01} 39: x[ 73]={ 3.33600e+00, 1.04700e+00, -2.47000e-01} 39: x[ 74]={ 3.22100e+00, 1.12000e+00, -9.20000e-02} 39: x[ 75]={ 3.29700e+00, 1.11700e+00, -2.70000e-02} 39: x[ 76]={ 3.16500e+00, 1.20100e+00, -7.50000e-02} 39: x[ 77]={ 3.13800e+00, 1.00000e+00, -7.20000e-02} 39: x[ 78]={ 3.10400e+00, 9.99000e-01, 2.20000e-02} 39: x[ 79]={ 3.06000e+00, 1.00500e+00, -1.35000e-01} 39: x[ 80]={ 3.20600e+00, 8.75000e-01, -9.60000e-02} 39: x[ 81]={ 3.20200e+00, 8.40000e-01, -1.89000e-01} 39: x[ 82]={ 3.27300e+00, 8.01000e-01, -1.00000e-02} 39: x[ 83]={ 3.28400e+00, 8.33000e-01, 1.19000e-01} 39: x[ 84]={ 3.23900e+00, 9.16000e-01, 1.53000e-01} 39: x[ 85]={ 3.33600e+00, 7.75000e-01, 1.81000e-01} 39: x[ 86]={ 3.32500e+00, 6.84000e-01, -5.30000e-02} 39: x[ 87]={ 3.31100e+00, 6.55000e-01, -1.47000e-01} 39: x[ 88]={ 3.37600e+00, 6.26000e-01, 1.00000e-02} 39: x[ 89]={ 3.46700e+00, 1.27300e+00, -1.56000e-01} 39: x[ 90]={ 3.46700e+00, 1.36500e+00, -7.00000e-02} 39: x[ 91]={ 3.56700e+00, 1.18500e+00, -1.61000e-01} 39: x[ 92]={ 3.56700e+00, 1.11600e+00, -2.33000e-01} 39: x[ 93]={ 3.67800e+00, 1.18700e+00, -6.50000e-02} 39: x[ 94]={ 3.63100e+00, 1.20200e+00, 2.20000e-02} 39: x[ 95]={ 3.74900e+00, 1.05300e+00, -6.20000e-02} 39: x[ 96]={ 3.77000e+00, 1.03400e+00, -1.58000e-01} 39: x[ 97]={ 3.83400e+00, 1.07200e+00, -1.30000e-02} 39: x[ 98]={ 3.65400e+00, 9.20000e-01, 1.40000e-02} 39: x[ 99]={ 3.70750e+00, 8.35500e-01, 1.20000e-02} 39: x[ 100]={ 3.77500e+00, 1.30500e+00, -7.80000e-02} 39: x[ 101]={ 3.81500e+00, 1.36100e+00, 2.60000e-02} 39: x[ 102]={ 3.78600e+00, 1.34800e+00, -2.02000e-01} 39: x[ 103]={ 3.74000e+00, 1.30000e+00, -2.76000e-01} 39: x[ 104]={ 3.86800e+00, 1.46900e+00, -2.31000e-01} 39: x[ 105]={ 3.96000e+00, 1.45500e+00, -1.93000e-01} 39: x[ 106]={ 3.87800e+00, 1.48500e+00, -3.82000e-01} 39: x[ 107]={ 3.92300e+00, 1.40200e+00, -4.17000e-01} 39: x[ 108]={ 3.78500e+00, 1.48900e+00, -4.17000e-01} 39: x[ 109]={ 3.95400e+00, 1.60500e+00, -4.38000e-01} 39: x[ 110]={ 3.91300e+00, 1.68700e+00, -3.99000e-01} 39: x[ 111]={ 4.04900e+00, 1.59800e+00, -4.07000e-01} 39: x[ 112]={ 3.95800e+00, 1.62400e+00, -5.87000e-01} 39: x[ 113]={ 3.86700e+00, 1.56400e+00, -6.49000e-01} 39: x[ 114]={ 4.04200e+00, 1.69500e+00, -6.38000e-01} 39: x[ 115]={ 3.80500e+00, 1.59300e+00, -1.66000e-01} 39: x[ 116]={ 3.87400e+00, 1.67300e+00, -1.01000e-01} 39: x[ 117]={ 3.67400e+00, 1.60500e+00, -1.82000e-01} 39: x[ 118]={ 3.62600e+00, 1.53500e+00, -2.35000e-01} 39: x[ 119]={ 3.59600e+00, 1.71600e+00, -1.25000e-01} 39: x[ 120]={ 3.64000e+00, 1.80100e+00, -1.56000e-01} 39: x[ 121]={ 3.45300e+00, 1.71700e+00, -1.81000e-01} 39: x[ 122]={ 3.45700e+00, 1.72200e+00, -2.81000e-01} 39: x[ 123]={ 3.40600e+00, 1.63300e+00, -1.53000e-01} 39: x[ 124]={ 3.37200e+00, 1.83500e+00, -1.31000e-01} 39: x[ 125]={ 3.37800e+00, 1.84200e+00, -3.10000e-02} 39: x[ 126]={ 3.43000e+00, 1.96600e+00, -1.84000e-01} 39: x[ 127]={ 3.37600e+00, 2.04300e+00, -1.50000e-01} 39: x[ 128]={ 3.52400e+00, 1.97500e+00, -1.53000e-01} 39: x[ 129]={ 3.42700e+00, 1.96500e+00, -2.84000e-01} 39: x[ 130]={ 3.22500e+00, 1.81400e+00, -1.60000e-01} 39: x[ 131]={ 3.17200e+00, 1.89300e+00, -1.26000e-01} 39: x[ 132]={ 3.21100e+00, 1.80500e+00, -2.58000e-01} 39: x[ 133]={ 3.19300e+00, 1.73100e+00, -1.14000e-01} 39: x[ 134]={ 3.60500e+00, 1.71300e+00, 2.70000e-02} 39: x[ 135]={ 3.61600e+00, 1.81700e+00, 9.20000e-02} 39: x[ 136]={ 3.57500e+00, 1.59800e+00, 8.30000e-02} 39: x[ 137]={ 3.54600e+00, 1.52200e+00, 2.40000e-02} 39: x[ 138]={ 3.58400e+00, 1.57600e+00, 2.28000e-01} 39: x[ 139]={ 3.50800e+00, 1.62600e+00, 2.69000e-01} 39: x[ 140]={ 3.56600e+00, 1.42900e+00, 2.62000e-01} 39: x[ 141]={ 3.57200e+00, 1.41600e+00, 3.61000e-01} 39: x[ 142]={ 3.47600e+00, 1.39800e+00, 2.30000e-01} 39: x[ 143]={ 3.63700e+00, 1.37500e+00, 2.18000e-01} 39: x[ 144]={ 3.71400e+00, 1.63100e+00, 2.84000e-01} 39: x[ 145]={ 3.71500e+00, 1.69800e+00, 3.90000e-01} 39: x[ 146]={ 3.82700e+00, 1.59800e+00, 2.20000e-01} 39: x[ 147]={ 3.82000e+00, 1.53900e+00, 1.40000e-01} 39: x[ 148]={ 3.96100e+00, 1.64300e+00, 2.62000e-01} 39: x[ 149]={ 3.96900e+00, 1.61900e+00, 3.58000e-01} 39: x[ 150]={ 4.07100e+00, 1.57100e+00, 1.84000e-01} 39: x[ 151]={ 4.16000e+00, 1.60300e+00, 2.15000e-01} 39: x[ 152]={ 4.06400e+00, 1.47200e+00, 2.01000e-01} 39: x[ 153]={ 4.06000e+00, 1.58900e+00, 8.60000e-02} 39: x[ 154]={ 3.97400e+00, 1.79400e+00, 2.46000e-01} 39: x[ 155]={ 4.01900e+00, 1.85000e+00, 3.47000e-01} 39: v (156x3): 39: v[ 0]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 1]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 2]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 3]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 4]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 5]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 6]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 7]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 8]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 9]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 10]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 11]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 12]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 13]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 14]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 15]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 16]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 17]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 18]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 19]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 20]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 21]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 22]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 23]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 24]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 25]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 26]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 27]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 28]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 29]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 30]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 31]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 32]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 33]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 34]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 35]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 36]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 37]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 38]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 39]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 40]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 41]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 42]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 43]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 44]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 45]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 46]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 47]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 48]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 49]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 50]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 51]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 52]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 53]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 54]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 55]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 56]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 57]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 58]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 59]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 60]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 61]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 62]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 63]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 64]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 65]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 66]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 67]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 68]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 69]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 70]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 71]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 72]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 73]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 74]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 75]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 76]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 77]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 78]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 79]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 80]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 81]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 82]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 83]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 84]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 85]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 86]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 87]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 88]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 89]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 90]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 91]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 92]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 93]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 94]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 95]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 96]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 97]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 98]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 99]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 100]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 101]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 102]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 103]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 104]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 105]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 106]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 107]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 108]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 109]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 110]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 111]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 112]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 113]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 114]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 115]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 116]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 117]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 118]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 119]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 120]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 121]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 122]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 123]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 124]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 125]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 126]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 127]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 128]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 129]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 130]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 131]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 132]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 133]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 134]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 135]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 136]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 137]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 138]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 139]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 140]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 141]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 142]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 143]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 144]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 145]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 146]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 147]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 148]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 149]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 150]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 151]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 152]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 153]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 154]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: v[ 155]={ 0.00000e+00, 0.00000e+00, 0.00000e+00} 39: Group statistics 39: T-Coupling : 156 (total 156 atoms) 39: Energy Mon. : 156 (total 156 atoms) 39: Acceleration: 156 (total 156 atoms) 39: Freeze : 156 (total 156 atoms) 39: User1 : 156 (total 156 atoms) 39: User2 : 156 (total 156 atoms) 39: VCM : 156 (total 156 atoms) 39: Compressed X: 156 (total 156 atoms) 39: Or. Res. Fit: 156 (total 156 atoms) 39: QMMM : 156 (total 156 atoms) 39: [ OK ] DumpTest.WorksWithTpr (9 ms) 39: [ RUN ] DumpTest.WorksWithTprAndMdpWriting 39: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 39: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/DumpTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 39: [ OK ] DumpTest.WorksWithTprAndMdpWriting (1 ms) 39: [----------] 2 tests from DumpTest (10 ms total) 39: 39: [----------] 4 tests from ReportMethodsTest 39: 39: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ReportMethodsTest_lysozyme.mdp]: 39: For a correct single-point energy evaluation with nsteps = 0, use 39: continuation = yes to avoid constraining the input coordinates. 39: 39: Setting the LD random seed to -624960341 39: Generated 330891 of the 330891 non-bonded parameter combinations 39: Generating 1-4 interactions: fudge = 0.5 39: Generated 330891 of the 330891 1-4 parameter combinations 39: Excluding 3 bonded neighbours molecule type 'Protein_chain_B' 39: 39: NOTE 2 [file lysozyme.top, line 1465]: 39: System has non-zero total charge: 2.000000 39: Total charge should normally be an integer. See 39: http://www.gromacs.org/Documentation/Floating_Point_Arithmetic 39: for discussion on how close it should be to an integer. 39: 39: 39: 39: Number of degrees of freedom in T-Coupling group rest is 465.00 39: 39: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ReportMethodsTest_lysozyme.mdp]: 39: NVE simulation with an initial temperature of zero: will use a Verlet 39: buffer of 10%. Check your energy drift! 39: 39: 39: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ReportMethodsTest_lysozyme.mdp]: 39: You are using a plain Coulomb cut-off, which might produce artifacts. 39: You might want to consider using PME electrostatics. 39: 39: 39: 39: There were 4 notes 39: Analysing residue names: 39: There are: 10 Protein residues 39: Analysing Protein... 39: This run will generate roughly 0 Mb of data 39: [ RUN ] ReportMethodsTest.WritesCorrectHeadersFormated 39: [ OK ] ReportMethodsTest.WritesCorrectHeadersFormated (0 ms) 39: [ RUN ] ReportMethodsTest.WritesCorrectHeadersUnformatted 39: [ OK ] ReportMethodsTest.WritesCorrectHeadersUnformatted (0 ms) 39: [ RUN ] ReportMethodsTest.WritesCorrectInformation 39: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ReportMethodsTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 39: [ OK ] ReportMethodsTest.WritesCorrectInformation (1 ms) 39: [ RUN ] ReportMethodsTest.ToolEndToEndTest 39: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/gromacs/tools/tests/Testing/Temporary/ReportMethodsTest_lysozyme.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 39: section: Methods 39: subsection: Simulation system 39: A system of 1 molecules (156 atoms) was simulated. 39: 39: subsection: Simulation settings 39: A total of 0 ns were simulated with a time step of 1 fs. 39: Neighbor searching was performed every 10 steps. 39: The Cut-off algorithm was used for electrostatic interactions. 39: with a cut-off of 1 nm. 39: A single cut-off of 1.1 nm was used for Van der Waals interactions. 39: [ OK ] ReportMethodsTest.ToolEndToEndTest (1 ms) 39: [----------] 4 tests from ReportMethodsTest (2 ms total) 39: 39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/0 39: Will write tng: Trajectory file (tng format) 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: trr version: GMX_trn_file (single precision) 39: Reading frame 0 time 0.000 -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/0 (19 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/1 39: Will write tng: Trajectory file (tng format) 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 39: Precision of /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/spc2-traj.tng is 0.001 (nm) 39: -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/1 (2 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/2 39: Will write tng: Trajectory file (tng format) 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/2 (2 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/3 39: Will write tng: Trajectory file (tng format) 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frames from gro file '', 6 atoms. 39: Reading frame 0 time 0.000 39: Precision of /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/spc2-traj.gro is 0.001 (nm) 39: -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/3 (2 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/4 39: Will write tng: Trajectory file (tng format) 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frames from pdb file Reading frame 0 time 0.000 39: Precision of /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/spc2-traj.pdb is 0.0001 (nm) 39: -> frame 0 time 0.000 't= 0.00000', 6 atoms 39: Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/4 (2 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/5 39: Will write tng: Trajectory file (tng format) 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset.WithDifferentInputFormats/5 (2 ms) 39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithIndexGroupSubset (29 ms total) 39: 39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/0 39: Will write trr: Trajectory in portable xdr format 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/0 (1 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/1 39: Will write trr: Trajectory in portable xdr format 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 39: Precision of /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/spc2-traj.tng is 0.001 (nm) 39: -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/1 (0 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/2 39: Will write trr: Trajectory in portable xdr format 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/2 (0 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/3 39: Will write trr: Trajectory in portable xdr format 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frames from gro file '', 6 atoms. 39: Reading frame 0 time 0.000 39: Precision of /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/spc2-traj.gro is 0.001 (nm) 39: -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/3 (1 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/4 39: Will write trr: Trajectory in portable xdr format 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frames from pdb file Reading frame 0 time 0.000 39: Precision of /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/spc2-traj.pdb is 0.0001 (nm) 39: -> frame 0 time 0.000 't= 0.00000', 6 atoms 39: Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/4 (0 ms) 39: [ RUN ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/5 39: Will write trr: Trajectory in portable xdr format 39: Group 0 ( System) has 6 elements 39: Group 1 (FirstWaterMolecule) has 3 elements 39: Group 2 (SecondWaterMolecule) has 3 elements 39: Select a group: Reading frame 0 time 0.000 -> frame 0 time 0.000 Reading frame 1 time 0.000 -> frame 1 time 0.000 Last frame 1 time 0.000 39: 39: Note that major changes are planned in future for trjconv, to improve usability and utility. 39: Select group for output 39: Selected 2: 'SecondWaterMolecule' 39: [ OK ] NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile.WithDifferentInputFormats/5 (1 ms) 39: [----------] 6 tests from NoFatalErrorWhenWritingFrom/TrjconvWithoutTopologyFile (4 ms total) 39: 39: [----------] Global test environment tear-down 39: [==========] 18 tests from 4 test cases ran. (1645 ms total) 39: [ PASSED ] 18 tests. 39/54 Test #39: ToolUnitTests ....................... Passed 1.67 sec test 40 Start 40: FileIOTests 40: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/fileio-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/FileIOTests.xml" 40: Test timeout computed to be: 30 40: [==========] Running 33 tests from 8 test cases. 40: [----------] Global test environment set-up. 40: [----------] 2 tests from FileMD5Test 40: [ RUN ] FileMD5Test.CanComputeMD5 40: [ OK ] FileMD5Test.CanComputeMD5 (7 ms) 40: [ RUN ] FileMD5Test.ReturnsErrorIfFileModeIsWrong 40: [ OK ] FileMD5Test.ReturnsErrorIfFileModeIsWrong (0 ms) 40: [----------] 2 tests from FileMD5Test (7 ms total) 40: 40: [----------] 3 tests from MrcSerializer 40: [ RUN ] MrcSerializer.DefaultHeaderValuesAreSet 40: [ OK ] MrcSerializer.DefaultHeaderValuesAreSet (0 ms) 40: [ RUN ] MrcSerializer.DefaultHeaderHasRightSerialSize 40: [ OK ] MrcSerializer.DefaultHeaderHasRightSerialSize (0 ms) 40: [ RUN ] MrcSerializer.DefaultHeaderIdenticalAfterRoundTrip 40: [ OK ] MrcSerializer.DefaultHeaderIdenticalAfterRoundTrip (1 ms) 40: [----------] 3 tests from MrcSerializer (1 ms total) 40: 40: [----------] 4 tests from MrcDensityMap 40: [ RUN ] MrcDensityMap.RoundTripIsIdempotent 40: [ OK ] MrcDensityMap.RoundTripIsIdempotent (1 ms) 40: [ RUN ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent 40: [ OK ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent (1 ms) 40: [ RUN ] MrcDensityMap.ReadsCoordinateTransformationFromFile 40: [ OK ] MrcDensityMap.ReadsCoordinateTransformationFromFile (0 ms) 40: [ RUN ] MrcDensityMap.ReadsDensityDataFromFile 40: [ OK ] MrcDensityMap.ReadsDensityDataFromFile (12 ms) 40: [----------] 4 tests from MrcDensityMap (14 ms total) 40: 40: [----------] 8 tests from MrcDensityMapHeaderTest 40: [ RUN ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader 40: [ OK ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader (0 ms) 40: [ RUN ] MrcDensityMapHeaderTest.DataSizeIsCorrect 40: [ OK ] MrcDensityMapHeaderTest.DataSizeIsCorrect (0 ms) 40: [ RUN ] MrcDensityMapHeaderTest.DataSizeThrowsWhenInvalid 40: [ OK ] MrcDensityMapHeaderTest.DataSizeThrowsWhenInvalid (0 ms) 40: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformNoOriginGiven 40: [ OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformNoOriginGiven (0 ms) 40: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithOriginDefined 40: [ OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithOriginDefined (1 ms) 40: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithStartValues 40: [ OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithStartValues (0 ms) 40: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectExtents 40: [ OK ] MrcDensityMapHeaderTest.GetsCorrectExtents (0 ms) 40: [ RUN ] MrcDensityMapHeaderTest.IsSane 40: [ OK ] MrcDensityMapHeaderTest.IsSane (0 ms) 40: [----------] 8 tests from MrcDensityMapHeaderTest (1 ms total) 40: 40: [----------] 9 tests from ReadTest 40: [ RUN ] ReadTest.get_eint_ReadsInteger 40: [ OK ] ReadTest.get_eint_ReadsInteger (0 ms) 40: [ RUN ] ReadTest.get_eint_WarnsAboutFloat 40: 40: ERROR 1 [file unknown, line 0]: 40: Right hand side '0.8' for parameter 'test' in parameter file is not an 40: integer value 40: 40: 40: [ OK ] ReadTest.get_eint_WarnsAboutFloat (0 ms) 40: [ RUN ] ReadTest.get_eint_WarnsAboutString 40: 40: ERROR 1 [file unknown, line 0]: 40: Right hand side 'hello' for parameter 'test' in parameter file is not an 40: integer value 40: 40: 40: [ OK ] ReadTest.get_eint_WarnsAboutString (0 ms) 40: [ RUN ] ReadTest.get_eint64_ReadsInteger 40: [ OK ] ReadTest.get_eint64_ReadsInteger (0 ms) 40: [ RUN ] ReadTest.get_eint64_WarnsAboutFloat 40: 40: ERROR 1 [file unknown, line 0]: 40: Right hand side '0.8' for parameter 'test' in parameter file is not an 40: integer value 40: 40: 40: [ OK ] ReadTest.get_eint64_WarnsAboutFloat (0 ms) 40: [ RUN ] ReadTest.get_eint64_WarnsAboutString 40: 40: ERROR 1 [file unknown, line 0]: 40: Right hand side 'hello' for parameter 'test' in parameter file is not an 40: integer value 40: 40: 40: [ OK ] ReadTest.get_eint64_WarnsAboutString (0 ms) 40: [ RUN ] ReadTest.get_ereal_ReadsInteger 40: [ OK ] ReadTest.get_ereal_ReadsInteger (0 ms) 40: [ RUN ] ReadTest.get_ereal_ReadsFloat 40: [ OK ] ReadTest.get_ereal_ReadsFloat (0 ms) 40: [ RUN ] ReadTest.get_ereal_WarnsAboutString 40: 40: ERROR 1 [file unknown, line 0]: 40: Right hand side 'hello' for parameter 'test' in parameter file is not a 40: real value 40: 40: 40: [ OK ] ReadTest.get_ereal_WarnsAboutString (0 ms) 40: [----------] 9 tests from ReadTest (0 ms total) 40: 40: [----------] 1 test from FileIOXdrSerializerTest 40: [ RUN ] FileIOXdrSerializerTest.SizeIsCorrect 40: [ OK ] FileIOXdrSerializerTest.SizeIsCorrect (0 ms) 40: [----------] 1 test from FileIOXdrSerializerTest (0 ms total) 40: 40: [----------] 2 tests from TngTest 40: [ RUN ] TngTest.CanOpenTngFile 40: TNG library: Cannot open file spc2-traj.tng. ./src/external/tng_io/src/lib/tng_io.c: 890 40: TNG library: Cannot open file spc2-traj.tng. ./src/external/tng_io/src/lib/tng_io.c: 890 40: [ OK ] TngTest.CanOpenTngFile (1 ms) 40: [ RUN ] TngTest.CloseBeforeOpenIsNotFatal 40: [ OK ] TngTest.CloseBeforeOpenIsNotFatal (0 ms) 40: [----------] 2 tests from TngTest (1 ms total) 40: 40: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest 40: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0 40: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0 (4 ms) 40: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 40: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 (1 ms) 40: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 40: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 (4 ms) 40: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 40: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 (1 ms) 40: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (10 ms total) 40: 40: [----------] Global test environment tear-down 40: [==========] 33 tests from 8 test cases ran. (35 ms total) 40: [ PASSED ] 33 tests. 40/54 Test #40: FileIOTests ......................... Passed 0.06 sec test 41 Start 41: SelectionUnitTests 41: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/selection-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/SelectionUnitTests.xml" 41: Test timeout computed to be: 30 41: [==========] Running 192 tests from 11 test cases. 41: [----------] Global test environment set-up. 41: [----------] 1 test from IndexGroupTest 41: [ RUN ] IndexGroupTest.RemovesDuplicates 41: [ OK ] IndexGroupTest.RemovesDuplicates (0 ms) 41: [----------] 1 test from IndexGroupTest (0 ms total) 41: 41: [----------] 15 tests from IndexBlockTest 41: [ RUN ] IndexBlockTest.CreatesUnknownBlock 41: [ OK ] IndexBlockTest.CreatesUnknownBlock (0 ms) 41: [ RUN ] IndexBlockTest.CreatesAtomBlock 41: [ OK ] IndexBlockTest.CreatesAtomBlock (1 ms) 41: [ RUN ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology 41: [ OK ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology (0 ms) 41: [ RUN ] IndexBlockTest.CreatesResidueBlocksForComplexTopology 41: [ OK ] IndexBlockTest.CreatesResidueBlocksForComplexTopology (0 ms) 41: [ RUN ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology 41: [ OK ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology (0 ms) 41: [ RUN ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology 41: [ OK ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology (0 ms) 41: [ RUN ] IndexBlockTest.CreatesSingleBlock 41: [ OK ] IndexBlockTest.CreatesSingleBlock (0 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForFullBlocksPositive 41: [ OK ] IndexBlockTest.ChecksGroupForFullBlocksPositive (1 ms) 41: [ RUN ] IndexBlockTest.ChecksOutOfOrderGroupForFullBlocksPositive 41: [ OK ] IndexBlockTest.ChecksOutOfOrderGroupForFullBlocksPositive (0 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForFullBlocksNegative 41: [ OK ] IndexBlockTest.ChecksGroupForFullBlocksNegative (0 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForCompleteElementsTrivial 41: [ OK ] IndexBlockTest.ChecksGroupForCompleteElementsTrivial (0 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForCompleteResiduesPositive 41: [ OK ] IndexBlockTest.ChecksGroupForCompleteResiduesPositive (0 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForCompleteResiduesNegative 41: [ OK ] IndexBlockTest.ChecksGroupForCompleteResiduesNegative (0 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForCompleteMoleculesPositive 41: [ OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesPositive (0 ms) 41: [ RUN ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative 41: [ OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative (0 ms) 41: [----------] 15 tests from IndexBlockTest (3 ms total) 41: 41: [----------] 11 tests from IndexMapTest 41: [ RUN ] IndexMapTest.InitializesAtomBlock 41: [ OK ] IndexMapTest.InitializesAtomBlock (0 ms) 41: [ RUN ] IndexMapTest.InitializesOrgIdGroupAtom 41: [ OK ] IndexMapTest.InitializesOrgIdGroupAtom (0 ms) 41: [ RUN ] IndexMapTest.InitializesOrgIdGroupSingle 41: [ OK ] IndexMapTest.InitializesOrgIdGroupSingle (1 ms) 41: [ RUN ] IndexMapTest.InitializesOrgIdGroupResidue 41: [ OK ] IndexMapTest.InitializesOrgIdGroupResidue (0 ms) 41: [ RUN ] IndexMapTest.InitializesOrgIdGroupMolecule 41: [ OK ] IndexMapTest.InitializesOrgIdGroupMolecule (0 ms) 41: [ RUN ] IndexMapTest.InitializesOrgIdGroupAll 41: [ OK ] IndexMapTest.InitializesOrgIdGroupAll (0 ms) 41: [ RUN ] IndexMapTest.InitializesMoleculeBlock 41: [ OK ] IndexMapTest.InitializesMoleculeBlock (1 ms) 41: [ RUN ] IndexMapTest.MapsSingleBlock 41: [ OK ] IndexMapTest.MapsSingleBlock (0 ms) 41: [ RUN ] IndexMapTest.MapsResidueBlocks 41: [ OK ] IndexMapTest.MapsResidueBlocks (0 ms) 41: [ RUN ] IndexMapTest.MapsResidueBlocksWithMask 41: [ OK ] IndexMapTest.MapsResidueBlocksWithMask (19 ms) 41: [ RUN ] IndexMapTest.HandlesMultipleRequests 41: [ OK ] IndexMapTest.HandlesMultipleRequests (2 ms) 41: [----------] 11 tests from IndexMapTest (23 ms total) 41: 41: [----------] 3 tests from IndexGroupsAndNamesTest 41: [ RUN ] IndexGroupsAndNamesTest.containsNames 41: [ OK ] IndexGroupsAndNamesTest.containsNames (0 ms) 41: [ RUN ] IndexGroupsAndNamesTest.throwsWhenNameMissing 41: [ OK ] IndexGroupsAndNamesTest.throwsWhenNameMissing (0 ms) 41: [ RUN ] IndexGroupsAndNamesTest.groupIndicesCorrect 41: [ OK ] IndexGroupsAndNamesTest.groupIndicesCorrect (0 ms) 41: [----------] 3 tests from IndexGroupsAndNamesTest (0 ms total) 41: 41: [----------] 15 tests from NeighborhoodSearchTest 41: [ RUN ] NeighborhoodSearchTest.SimpleSearch 41: [ OK ] NeighborhoodSearchTest.SimpleSearch (25 ms) 41: [ RUN ] NeighborhoodSearchTest.SimpleSearchXY 41: [ OK ] NeighborhoodSearchTest.SimpleSearchXY (29 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSearchBox 41: [ OK ] NeighborhoodSearchTest.GridSearchBox (5 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSearchTriclinic 41: [ OK ] NeighborhoodSearchTest.GridSearchTriclinic (17 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSearch2DPBC 41: [ OK ] NeighborhoodSearchTest.GridSearch2DPBC (6 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSearchNoPBC 41: [ OK ] NeighborhoodSearchTest.GridSearchNoPBC (2 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSearchXYBox 41: [ OK ] NeighborhoodSearchTest.GridSearchXYBox (3 ms) 41: [ RUN ] NeighborhoodSearchTest.SimpleSelfPairsSearch 41: [ OK ] NeighborhoodSearchTest.SimpleSelfPairsSearch (0 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSelfPairsSearch 41: [ OK ] NeighborhoodSearchTest.GridSelfPairsSearch (58 ms) 41: [ RUN ] NeighborhoodSearchTest.HandlesConcurrentSearches 41: [ OK ] NeighborhoodSearchTest.HandlesConcurrentSearches (0 ms) 41: [ RUN ] NeighborhoodSearchTest.HandlesNoPBC 41: [ OK ] NeighborhoodSearchTest.HandlesNoPBC (0 ms) 41: [ RUN ] NeighborhoodSearchTest.HandlesNullPBC 41: [ OK ] NeighborhoodSearchTest.HandlesNullPBC (0 ms) 41: [ RUN ] NeighborhoodSearchTest.HandlesSkippingPairs 41: [ OK ] NeighborhoodSearchTest.HandlesSkippingPairs (0 ms) 41: [ RUN ] NeighborhoodSearchTest.SimpleSearchExclusions 41: [ OK ] NeighborhoodSearchTest.SimpleSearchExclusions (3 ms) 41: [ RUN ] NeighborhoodSearchTest.GridSearchExclusions 41: [ OK ] NeighborhoodSearchTest.GridSearchExclusions (0 ms) 41: [----------] 15 tests from NeighborhoodSearchTest (150 ms total) 41: 41: [----------] 12 tests from PositionCalculationTest 41: [ RUN ] PositionCalculationTest.ComputesAtomPositions 41: [ OK ] PositionCalculationTest.ComputesAtomPositions (1 ms) 41: [ RUN ] PositionCalculationTest.ComputesResidueCOGPositions 41: [ OK ] PositionCalculationTest.ComputesResidueCOGPositions (0 ms) 41: [ RUN ] PositionCalculationTest.ComputesResidueCOMPositions 41: [ OK ] PositionCalculationTest.ComputesResidueCOMPositions (0 ms) 41: [ RUN ] PositionCalculationTest.ComputesGroupCOGPositions 41: [ OK ] PositionCalculationTest.ComputesGroupCOGPositions (0 ms) 41: [ RUN ] PositionCalculationTest.ComputesGroupCOMPositions 41: [ OK ] PositionCalculationTest.ComputesGroupCOMPositions (0 ms) 41: [ RUN ] PositionCalculationTest.ComputesPositionsWithCompleteWhole 41: [ OK ] PositionCalculationTest.ComputesPositionsWithCompleteWhole (1 ms) 41: [ RUN ] PositionCalculationTest.ComputesPositionsWithCompleteMax 41: [ OK ] PositionCalculationTest.ComputesPositionsWithCompleteMax (0 ms) 41: [ RUN ] PositionCalculationTest.ComputesPositionMask 41: [ OK ] PositionCalculationTest.ComputesPositionMask (0 ms) 41: [ RUN ] PositionCalculationTest.HandlesFramesWithLessAtoms 41: [ OK ] PositionCalculationTest.HandlesFramesWithLessAtoms (0 ms) 41: [ RUN ] PositionCalculationTest.HandlesFramesWithLessAtoms2 41: [ OK ] PositionCalculationTest.HandlesFramesWithLessAtoms2 (0 ms) 41: [ RUN ] PositionCalculationTest.HandlesIdenticalStaticCalculations 41: [ OK ] PositionCalculationTest.HandlesIdenticalStaticCalculations (13 ms) 41: [ RUN ] PositionCalculationTest.HandlesOverlappingStaticCalculations 41: [ OK ] PositionCalculationTest.HandlesOverlappingStaticCalculations (12 ms) 41: [----------] 12 tests from PositionCalculationTest (27 ms total) 41: 41: [----------] 29 tests from SelectionCollectionTest 41: [ RUN ] SelectionCollectionTest.HandlesNoSelections 41: [ OK ] SelectionCollectionTest.HandlesNoSelections (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType 41: [ OK ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType (4 ms) 41: [ RUN ] SelectionCollectionTest.HandlesVelocityAndForceRequests 41: [ OK ] SelectionCollectionTest.HandlesVelocityAndForceRequests (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry 41: [ OK ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry (1 ms) 41: [ RUN ] SelectionCollectionTest.ParsesSelectionsFromFile 41: [ OK ] SelectionCollectionTest.ParsesSelectionsFromFile (3 ms) 41: [ RUN ] SelectionCollectionTest.HandlesAtypicalWhitespace 41: [ OK ] SelectionCollectionTest.HandlesAtypicalWhitespace (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesInvalidRegularExpressions 41: [ OK ] SelectionCollectionTest.HandlesInvalidRegularExpressions (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesMissingMethodParamValue 41: [ OK ] SelectionCollectionTest.HandlesMissingMethodParamValue (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesMissingMethodParamValue2 41: [ OK ] SelectionCollectionTest.HandlesMissingMethodParamValue2 (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesMissingMethodParamValue3 41: [ OK ] SelectionCollectionTest.HandlesMissingMethodParamValue3 (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1 41: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1 (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 41: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 (7 ms) 41: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 41: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2 41: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2 (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesUnsortedGroupReference 41: [ OK ] SelectionCollectionTest.HandlesUnsortedGroupReference (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesUnsortedGroupReferenceDelayed 41: [ OK ] SelectionCollectionTest.HandlesUnsortedGroupReferenceDelayed (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup 41: [ OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed 41: [ OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2 41: [ OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2 (0 ms) 41: [ RUN ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo 41: [ OK ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo (0 ms) 41: [ RUN ] SelectionCollectionTest.RecoversFromMissingAtomTypes 41: [ OK ] SelectionCollectionTest.RecoversFromMissingAtomTypes (1 ms) 41: [ RUN ] SelectionCollectionTest.RecoversFromMissingPDBInfo 41: [ OK ] SelectionCollectionTest.RecoversFromMissingPDBInfo (0 ms) 41: [ RUN ] SelectionCollectionTest.RecoversFromInvalidPermutation 41: [ OK ] SelectionCollectionTest.RecoversFromInvalidPermutation (0 ms) 41: [ RUN ] SelectionCollectionTest.RecoversFromInvalidPermutation2 41: [ OK ] SelectionCollectionTest.RecoversFromInvalidPermutation2 (1 ms) 41: [ RUN ] SelectionCollectionTest.RecoversFromInvalidPermutation3 41: [ OK ] SelectionCollectionTest.RecoversFromInvalidPermutation3 (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets 41: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets2 41: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets2 (0 ms) 41: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3 41: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3 (1 ms) 41: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4 41: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4 (0 ms) 41: [----------] 29 tests from SelectionCollectionTest (25 ms total) 41: 41: [----------] 14 tests from SelectionCollectionInteractiveTest 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesBasicInput 41: [ OK ] SelectionCollectionInteractiveTest.HandlesBasicInput (8 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesContinuation 41: [ OK ] SelectionCollectionInteractiveTest.HandlesContinuation (6 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput 41: [ OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput (1 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput 41: [ OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput (1 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups 41: [ OK ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups (1 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections 41: [ OK ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections (1 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus 41: [ OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus (1 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus 41: [ OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus (5 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus 41: [ OK ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus (0 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline 41: [ OK ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline (1 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesEmptySelections 41: [ OK ] SelectionCollectionInteractiveTest.HandlesEmptySelections (1 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine 41: [ OK ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine (6 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput 41: [ OK ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput (0 ms) 41: [ RUN ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively 41: [ OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively (4 ms) 41: [----------] 14 tests from SelectionCollectionInteractiveTest (36 ms total) 41: 41: [----------] 66 tests from SelectionCollectionDataTest 41: [ RUN ] SelectionCollectionDataTest.HandlesAllNone 41: [ OK ] SelectionCollectionDataTest.HandlesAllNone (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesAtomnr 41: [ OK ] SelectionCollectionDataTest.HandlesAtomnr (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesResnr 41: [ OK ] SelectionCollectionDataTest.HandlesResnr (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesResIndex 41: [ OK ] SelectionCollectionDataTest.HandlesResIndex (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesMolIndex 41: [ OK ] SelectionCollectionDataTest.HandlesMolIndex (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesAtomname 41: [ OK ] SelectionCollectionDataTest.HandlesAtomname (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPdbAtomname 41: [ OK ] SelectionCollectionDataTest.HandlesPdbAtomname (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesAtomtype 41: [ OK ] SelectionCollectionDataTest.HandlesAtomtype (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesChain 41: [ OK ] SelectionCollectionDataTest.HandlesChain (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesMass 41: [ OK ] SelectionCollectionDataTest.HandlesMass (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesCharge 41: [ OK ] SelectionCollectionDataTest.HandlesCharge (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesAltLoc 41: [ OK ] SelectionCollectionDataTest.HandlesAltLoc (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesInsertCode 41: [ OK ] SelectionCollectionDataTest.HandlesInsertCode (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesOccupancy 41: [ OK ] SelectionCollectionDataTest.HandlesOccupancy (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesBeta 41: [ OK ] SelectionCollectionDataTest.HandlesBeta (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesResname 41: [ OK ] SelectionCollectionDataTest.HandlesResname (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesCoordinateKeywords 41: [ OK ] SelectionCollectionDataTest.HandlesCoordinateKeywords (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesSameResidue 41: [ OK ] SelectionCollectionDataTest.HandlesSameResidue (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesSameResidueName 41: [ OK ] SelectionCollectionDataTest.HandlesSameResidueName (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPositionKeywords 41: [ OK ] SelectionCollectionDataTest.HandlesPositionKeywords (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesDistanceKeyword 41: [ OK ] SelectionCollectionDataTest.HandlesDistanceKeyword (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesMinDistanceKeyword 41: [ OK ] SelectionCollectionDataTest.HandlesMinDistanceKeyword (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesWithinKeyword 41: [ OK ] SelectionCollectionDataTest.HandlesWithinKeyword (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword 41: [ OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (10 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPermuteModifier 41: [ OK ] SelectionCollectionDataTest.HandlesPermuteModifier (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPlusModifier 41: [ OK ] SelectionCollectionDataTest.HandlesPlusModifier (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesMergeModifier 41: [ OK ] SelectionCollectionDataTest.HandlesMergeModifier (1 ms) 41: [ RUN ] SelectionCollectionDataTest.ComputesMassesAndCharges 41: [ OK ] SelectionCollectionDataTest.ComputesMassesAndCharges (1 ms) 41: [ RUN ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology 41: [ OK ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets 41: [ OK ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesSelectionNames 41: [ OK ] SelectionCollectionDataTest.HandlesSelectionNames (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesIndexGroupsInSelections 41: [ OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelections (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed 41: [ OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections 41: [ OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed 41: [ OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesConstantPositions 41: [ OK ] SelectionCollectionDataTest.HandlesConstantPositions (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers 41: [ OK ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesWithinConstantPositions 41: [ OK ] SelectionCollectionDataTest.HandlesWithinConstantPositions (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges 41: [ OK ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesOverlappingRealRanges 41: [ OK ] SelectionCollectionDataTest.HandlesOverlappingRealRanges (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode 41: [ OK ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesWildcardMatching 41: [ OK ] SelectionCollectionDataTest.HandlesWildcardMatching (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesRegexMatching 41: [ OK ] SelectionCollectionDataTest.HandlesRegexMatching (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesBasicBoolean 41: [ OK ] SelectionCollectionDataTest.HandlesBasicBoolean (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters 41: [ OK ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions 41: [ OK ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame 41: [ OK ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords 41: [ OK ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods 41: [ OK ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesKeywordOfPositions 41: [ OK ] SelectionCollectionDataTest.HandlesKeywordOfPositions (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic 41: [ OK ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesNumericComparisons 41: [ OK ] SelectionCollectionDataTest.HandlesNumericComparisons (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesArithmeticExpressions 41: [ OK ] SelectionCollectionDataTest.HandlesArithmeticExpressions (10 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesNumericVariables 41: [ OK ] SelectionCollectionDataTest.HandlesNumericVariables (9 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesComplexNumericVariables 41: [ OK ] SelectionCollectionDataTest.HandlesComplexNumericVariables (6 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPositionVariables 41: [ OK ] SelectionCollectionDataTest.HandlesPositionVariables (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesPositionVariableInModifier 41: [ OK ] SelectionCollectionDataTest.HandlesPositionVariableInModifier (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesConstantPositionInVariable 41: [ OK ] SelectionCollectionDataTest.HandlesConstantPositionInVariable (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables 41: [ OK ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis 41: [ OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis (2 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables 41: [ OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables 41: [ OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesUnusedVariables 41: [ OK ] SelectionCollectionDataTest.HandlesUnusedVariables (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups 41: [ OK ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups (1 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups 41: [ OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups (0 ms) 41: [ RUN ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 41: [ OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 (1 ms) 41: [----------] 66 tests from SelectionCollectionDataTest (82 ms total) 41: 41: [----------] 17 tests from SelectionOptionTest 41: [ RUN ] SelectionOptionTest.ParsesSimpleSelection 41: [ OK ] SelectionOptionTest.ParsesSimpleSelection (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired 41: [ OK ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired (1 ms) 41: [ RUN ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired 41: [ OK ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired (0 ms) 41: [ RUN ] SelectionOptionTest.ChecksForSortedAtomsWhenRequired 41: [ OK ] SelectionOptionTest.ChecksForSortedAtomsWhenRequired (1 ms) 41: [ RUN ] SelectionOptionTest.ChecksEmptySelections 41: [ OK ] SelectionOptionTest.ChecksEmptySelections (0 ms) 41: [ RUN ] SelectionOptionTest.ChecksEmptyDelayedSelections 41: [ OK ] SelectionOptionTest.ChecksEmptyDelayedSelections (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesTooManySelections 41: [ OK ] SelectionOptionTest.HandlesTooManySelections (1 ms) 41: [ RUN ] SelectionOptionTest.HandlesTooFewSelections 41: [ OK ] SelectionOptionTest.HandlesTooFewSelections (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesDefaultSelectionText 41: [ OK ] SelectionOptionTest.HandlesDefaultSelectionText (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesAdjuster 41: [ OK ] SelectionOptionTest.HandlesAdjuster (1 ms) 41: [ RUN ] SelectionOptionTest.HandlesDynamicWhenStaticRequiredWithAdjuster 41: [ OK ] SelectionOptionTest.HandlesDynamicWhenStaticRequiredWithAdjuster (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesTooManySelectionsWithAdjuster 41: [ OK ] SelectionOptionTest.HandlesTooManySelectionsWithAdjuster (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesTooFewSelectionsWithAdjuster 41: [ OK ] SelectionOptionTest.HandlesTooFewSelectionsWithAdjuster (1 ms) 41: [ RUN ] SelectionOptionTest.HandlesDelayedRequiredSelection 41: [ OK ] SelectionOptionTest.HandlesDelayedRequiredSelection (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesTooFewDelayedRequiredSelections 41: [ OK ] SelectionOptionTest.HandlesTooFewDelayedRequiredSelections (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesDelayedOptionalSelection 41: [ OK ] SelectionOptionTest.HandlesDelayedOptionalSelection (0 ms) 41: [ RUN ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster 41: [ OK ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster (1 ms) 41: [----------] 17 tests from SelectionOptionTest (6 ms total) 41: 41: [----------] 9 tests from SelectionFileOptionTest 41: [ RUN ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile 41: [ OK ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile (0 ms) 41: [ RUN ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions 41: [ OK ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions (1 ms) 41: [ RUN ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile 41: [ OK ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile (0 ms) 41: [ RUN ] SelectionFileOptionTest.HandlesRequiredOptionFromFile 41: [ OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFile (0 ms) 41: [ RUN ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet 41: [ OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet (1 ms) 41: [ RUN ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile 41: [ OK ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile (0 ms) 41: [ RUN ] SelectionFileOptionTest.GivesErrorWithNoFile 41: [ OK ] SelectionFileOptionTest.GivesErrorWithNoFile (0 ms) 41: [ RUN ] SelectionFileOptionTest.GivesErrorWithNonExistentFile 41: [ OK ] SelectionFileOptionTest.GivesErrorWithNonExistentFile (1 ms) 41: [ RUN ] SelectionFileOptionTest.GivesErrorWithMultipleFiles 41: [ OK ] SelectionFileOptionTest.GivesErrorWithMultipleFiles (0 ms) 41: [----------] 9 tests from SelectionFileOptionTest (3 ms total) 41: 41: [----------] Global test environment tear-down 41: [==========] 192 tests from 11 test cases ran. (356 ms total) 41: [ PASSED ] 192 tests. 41/54 Test #41: SelectionUnitTests .................. Passed 0.38 sec test 42 Start 42: MdrunOutputTests 42: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/mdrun-output-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MdrunOutputTests.xml" 42: Test timeout computed to be: 600 42: [==========] Running 12 tests from 5 test cases. 42: [----------] Global test environment set-up. 42: [----------] 1 test from MdrunTest 42: [ RUN ] MdrunTest.WritesHelp 42: [ OK ] MdrunTest.WritesHelp (2 ms) 42: [----------] 1 test from MdrunTest (2 ms total) 42: 42: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput 42: [ RUN ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 42: Setting the LD random seed to -240435201 42: Generated 3 of the 3 non-bonded parameter combinations 42: Generating 1-4 interactions: fudge = 0.5 42: Generated 3 of the 3 1-4 parameter combinations 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group rest is 9.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_0_input.mdp]: 42: NVE simulation: will use the initial temperature of 2573.591 K for 42: determining the Verlet buffer size 42: 42: 42: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_0_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There were 2 notes 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 42: Can not increase nstlist because an NVE ensemble is used 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc2' 42: 1 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 2573.59 K 42: Calculated rlist for 1x1 atom pair-list as 1.113 nm, buffer size 0.113 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.104 nm, buffer size 0.104 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.013 0.007 197.9 42: (ns/day) (hour/ns) 42: Performance: 26.344 0.911 42: Reading frame 0 time 0.000 42: # Atoms 6 42: Reading frame 1 time 0.001 Last frame 1 time 0.001 42: 42: 42: Item #frames Timestep (ps) 42: Step 2 0.001 42: Time 2 0.001 42: Lambda 0 42: Coords 2 0.001 42: Velocities 0 42: Forces 0 42: Box 2 0.001 42: Checking file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_0.xtc 42: [ OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/0 (107 ms) 42: [ RUN ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 42: Setting the LD random seed to -109248745 42: Generated 3 of the 3 non-bonded parameter combinations 42: Generating 1-4 interactions: fudge = 0.5 42: Generated 3 of the 3 1-4 parameter combinations 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group rest is 9.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_1_input.mdp]: 42: NVE simulation: will use the initial temperature of 2573.591 K for 42: determining the Verlet buffer size 42: 42: 42: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_1_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There were 2 notes 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 42: Can not increase nstlist because an NVE ensemble is used 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc2' 42: 1 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 2573.59 K 42: Calculated rlist for 1x1 atom pair-list as 1.113 nm, buffer size 0.113 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.104 nm, buffer size 0.104 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.009 0.004 195.9 42: (ns/day) (hour/ns) 42: Performance: 39.118 0.614 42: Reading frame 0 time 0.000 42: # Atoms 6 42: Reading frame 1 time 0.001 Last frame 1 time 0.001 42: 42: 42: Item #frames Timestep (ps) 42: Step 2 0.001 42: Time 2 0.001 42: Lambda 0 42: Coords 2 0.001 42: Velocities 0 42: Forces 0 42: Box 2 0.001 42: Checking file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_1.xtc 42: [ OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/1 (14 ms) 42: [ RUN ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 42: Setting the LD random seed to 862703356 42: Generated 3 of the 3 non-bonded parameter combinations 42: Generating 1-4 interactions: fudge = 0.5 42: Generated 3 of the 3 1-4 parameter combinations 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group rest is 9.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_2_input.mdp]: 42: NVE simulation: will use the initial temperature of 2573.591 K for 42: determining the Verlet buffer size 42: 42: 42: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_2_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There were 2 notes 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 42: Can not increase nstlist because an NVE ensemble is used 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc2' 42: 1 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 2573.59 K 42: Calculated rlist for 1x1 atom pair-list as 1.113 nm, buffer size 0.113 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.104 nm, buffer size 0.104 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.005 0.003 195.4 42: (ns/day) (hour/ns) 42: Performance: 68.498 0.350 42: Reading frame 0 time 0.000 42: # Atoms 3 42: Reading frame 1 time 0.001 Last frame 1 time 0.001 42: 42: 42: Item #frames Timestep (ps) 42: Step 2 0.001 42: Time 2 0.001 42: Lambda 0 42: Coords 2 0.001 42: Velocities 0 42: Forces 0 42: Box 2 0.001 42: Checking file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithDifferentOutputGroupSettings_MdrunCompressedXOutput_ExitsNormally_2.xtc 42: [ OK ] WithDifferentOutputGroupSettings/MdrunCompressedXOutput.ExitsNormally/2 (11 ms) 42: [----------] 3 tests from WithDifferentOutputGroupSettings/MdrunCompressedXOutput (132 ms total) 42: 42: [----------] 2 tests from Argon12/OutputFiles 42: [ RUN ] Argon12/OutputFiles.FilesArePresent/0 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_0_input.mdp]: 42: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 42: that with the Verlet scheme, nstlist has no effect on the accuracy of 42: your simulation. 42: 42: 42: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_0_input.mdp]: 42: Setting nstcalcenergy (100) equal to nstenergy (4) 42: 42: Generated 1 of the 1 non-bonded parameter combinations 42: Excluding 1 bonded neighbours molecule type 'Argon' 42: Number of degrees of freedom in T-Coupling group System is 33.00 42: 42: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_0_input.mdp]: 42: NVE simulation: will use the initial temperature of 68.810 K for 42: determining the Verlet buffer size 42: 42: 42: There were 3 notes 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 42: Can not increase nstlist because an NVE ensemble is used 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'Argon' 42: 16 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 42: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 42: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.031 0.016 198.5 42: (ns/day) (hour/ns) 42: Performance: 93.107 0.258 42: [ OK ] Argon12/OutputFiles.FilesArePresent/0 (142 ms) 42: [ RUN ] Argon12/OutputFiles.FilesArePresent/1 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_1_input.mdp]: 42: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 42: that with the Verlet scheme, nstlist has no effect on the accuracy of 42: your simulation. 42: 42: 42: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_1_input.mdp]: 42: Setting nstcalcenergy (100) equal to nstenergy (4) 42: 42: Generated 1 of the 1 non-bonded parameter combinations 42: Excluding 1 bonded neighbours molecule type 'Argon' 42: Number of degrees of freedom in T-Coupling group System is 33.00 42: 42: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_1_input.mdp]: 42: NVE simulation: will use the initial temperature of 68.810 K for 42: determining the Verlet buffer size 42: 42: 42: There were 3 notes 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Argon12_OutputFiles_FilesArePresent_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 42: Can not increase nstlist because an NVE ensemble is used 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'Argon' 42: 16 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 42: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 42: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.008 0.004 197.1 42: (ns/day) (hour/ns) 42: Performance: 341.629 0.070 42: [ OK ] Argon12/OutputFiles.FilesArePresent/1 (411 ms) 42: [----------] 2 tests from Argon12/OutputFiles (553 ms total) 42: 42: [----------] 3 tests from MdrunCanWrite/Trajectories 42: [ RUN ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 42: Setting the LD random seed to 1069539311 42: Generated 8 of the 10 non-bonded parameter combinations 42: Excluding 2 bonded neighbours molecule type 'Methanol' 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group System is 12.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_Trajectories_ThatDifferInNstxout_0_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There was 1 note 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_Trajectories_ThatDifferInNstxout_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 42: Changing nstlist from 10 to 50, rlist from 1.023 to 1.181 42: 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc-and-methanol' 42: 6 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 42: Calculated rlist for 1x1 atom pair-list as 1.025 nm, buffer size 0.025 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.022 nm, buffer size 0.022 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.029 0.015 197.7 42: (ns/day) (hour/ns) 42: Performance: 41.335 0.581 42: [ OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/0 (38 ms) 42: [ RUN ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1 42: Setting the LD random seed to 1804039315 42: Generated 8 of the 10 non-bonded parameter combinations 42: Excluding 2 bonded neighbours molecule type 'Methanol' 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group System is 12.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_Trajectories_ThatDifferInNstxout_1_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There was 1 note 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_Trajectories_ThatDifferInNstxout_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 42: Changing nstlist from 10 to 50, rlist from 1.023 to 1.181 42: 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc-and-methanol' 42: 6 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 42: Calculated rlist for 1x1 atom pair-list as 1.025 nm, buffer size 0.025 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.022 nm, buffer size 0.022 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.277 0.139 199.9 42: (ns/day) (hour/ns) 42: Performance: 4.364 5.500 42: [ OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/1 (153 ms) 42: [ RUN ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2 42: Setting the LD random seed to -8784769 42: Generated 8 of the 10 non-bonded parameter combinations 42: Excluding 2 bonded neighbours molecule type 'Methanol' 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group System is 12.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_Trajectories_ThatDifferInNstxout_2_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There was 1 note 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_Trajectories_ThatDifferInNstxout_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 42: Changing nstlist from 10 to 50, rlist from 1.023 to 1.181 42: 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc-and-methanol' 42: 6 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 42: Calculated rlist for 1x1 atom pair-list as 1.025 nm, buffer size 0.025 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.022 nm, buffer size 0.022 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.009 0.004 196.6 42: (ns/day) (hour/ns) 42: Performance: 139.464 0.172 42: [ OK ] MdrunCanWrite/Trajectories.ThatDifferInNstxout/2 (13 ms) 42: [----------] 3 tests from MdrunCanWrite/Trajectories (204 ms total) 42: 42: [----------] 3 tests from MdrunCanWrite/NptTrajectories 42: [ RUN ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0 42: Setting the LD random seed to -1082392962 42: Generated 8 of the 10 non-bonded parameter combinations 42: Excluding 2 bonded neighbours molecule type 'Methanol' 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group System is 12.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_NptTrajectories_WithDifferentPcoupl_0_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There was 1 note 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_NptTrajectories_WithDifferentPcoupl_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 42: Changing nstlist from 10 to 50, rlist from 1.023 to 1.181 42: 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc-and-methanol' 42: 2 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 42: Calculated rlist for 1x1 atom pair-list as 1.025 nm, buffer size 0.025 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.022 nm, buffer size 0.022 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.005 0.003 195.0 42: (ns/day) (hour/ns) 42: Performance: 95.642 0.251 42: [ OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/0 (11 ms) 42: [ RUN ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1 42: Setting the LD random seed to -1837121553 42: Generated 8 of the 10 non-bonded parameter combinations 42: Excluding 2 bonded neighbours molecule type 'Methanol' 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group System is 12.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_NptTrajectories_WithDifferentPcoupl_1_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There was 1 note 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_NptTrajectories_WithDifferentPcoupl_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 42: Changing nstlist from 10 to 50, rlist from 1.023 to 1.181 42: 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc-and-methanol' 42: 2 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 42: Calculated rlist for 1x1 atom pair-list as 1.025 nm, buffer size 0.025 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.022 nm, buffer size 0.022 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.005 0.003 194.6 42: (ns/day) (hour/ns) 42: Performance: 97.670 0.246 42: [ OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/1 (11 ms) 42: [ RUN ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2 42: Setting the LD random seed to -1646133266 42: Generated 8 of the 10 non-bonded parameter combinations 42: Excluding 2 bonded neighbours molecule type 'Methanol' 42: Excluding 2 bonded neighbours molecule type 'SOL' 42: Number of degrees of freedom in T-Coupling group System is 12.00 42: 42: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_NptTrajectories_WithDifferentPcoupl_2_input.mdp]: 42: You are using a plain Coulomb cut-off, which might produce artifacts. 42: You might want to consider using PME electrostatics. 42: 42: 42: 42: There was 1 note 42: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 42: log). 42: The current CPU can measure timings more accurately than the code in 42: mdrun-output-test was configured to use. This might affect your simulation 42: speed as accurate timings are needed for load-balancing. 42: Please consider rebuilding mdrun-output-test with the GMX_USE_RDTSCP=ON CMake option. 42: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunCanWrite_NptTrajectories_WithDifferentPcoupl_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 42: Changing nstlist from 10 to 50, rlist from 1.023 to 1.181 42: 42: 42: Using 1 MPI thread 42: 42: Non-default thread affinity set, disabling internal thread affinity 42: 42: Using 2 OpenMP threads 42: 42: starting mdrun 'spc-and-methanol' 42: 2 steps, 0.0 ps. 42: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 42: Calculated rlist for 1x1 atom pair-list as 1.025 nm, buffer size 0.025 nm 42: Set rlist, assuming 4x4 atom pair-list, to 1.022 nm, buffer size 0.022 nm 42: Note that mdrun will redetermine rlist based on the actual pair-list setup 42: This run will generate roughly 0 Mb of data 42: 42: Writing final coordinates. 42: 42: Core t (s) Wall t (s) (%) 42: Time: 0.006 0.003 194.3 42: (ns/day) (hour/ns) 42: Performance: 91.404 0.263 42: [ OK ] MdrunCanWrite/NptTrajectories.WithDifferentPcoupl/2 (12 ms) 42: [----------] 3 tests from MdrunCanWrite/NptTrajectories (34 ms total) 42: 42: [----------] Global test environment tear-down 42: [==========] 12 tests from 5 test cases ran. (925 ms total) 42: [ PASSED ] 12 tests. 42/54 Test #42: MdrunOutputTests .................... Passed 0.99 sec test 43 Start 43: MdrunModulesTests 43: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/mdrun-modules-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MdrunModulesTests.xml" 43: Test timeout computed to be: 600 43: [==========] Running 10 tests from 3 test cases. 43: [----------] Global test environment set-up. 43: [----------] 4 tests from DensityFittingTest 43: [ RUN ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct 43: Setting the LD random seed to -420749323 43: Generated 1 of the 1 non-bonded parameter combinations 43: Excluding 1 bonded neighbours molecule type 'Argon' 43: Number of degrees of freedom in T-Coupling group rest is 33.00 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProduct.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: 43: Steepest Descents: 43: Tolerance (Fmax) = 1.00000e+01 43: Number of steps = 2 43: 43: Energy minimization reached the maximum number of steps before the forces 43: reached the requested precision Fmax < 10. 43: 43: writing lowest energy coordinates. 43: 43: Steepest Descents did not converge to Fmax < 10 in 3 steps. 43: Potential Energy = -3.85654101644806e+03 43: Maximum force = 2.88468568366558e+03 on atom 3 43: Norm of force = 1.07544474716821e+03 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectInnerProduct.edr as double precision energy file 43: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Last energy frame read 2 time 2.000 This run will generate roughly 0 Mb of data 43: [ OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectInnerProduct (135 ms) 43: [ RUN ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy 43: Setting the LD random seed to -75554951 43: Generated 1 of the 1 non-bonded parameter combinations 43: Excluding 1 bonded neighbours molecule type 'Argon' 43: Number of degrees of freedom in T-Coupling group rest is 33.00 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectForRelativeEntropy.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: 43: Steepest Descents: 43: Tolerance (Fmax) = 1.00000e+01 43: Number of steps = 2 43: 43: Energy minimization reached the maximum number of steps before the forces 43: reached the requested precision Fmax < 10. 43: 43: writing lowest energy coordinates. 43: 43: Steepest Descents did not converge to Fmax < 10 in 3 steps. 43: Potential Energy = -2.71386626596691e+04 43: Maximum force = 4.34097106676756e+03 on atom 2 43: Norm of force = 1.25497916295893e+03 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_EnergyMinimizationEnergyCorrectForRelativeEntropy.edr as double precision energy file 43: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Last energy frame read 2 time 2.000 This run will generate roughly 0 Mb of data 43: [ OK ] DensityFittingTest.EnergyMinimizationEnergyCorrectForRelativeEntropy (9 ms) 43: [ RUN ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch 43: 43: [WARNING] ./src/external/googletest/googletest/src/gtest-death-test.cc:836:: Death tests use fork(), which is unsafe particularly in a threaded context. For this test, Google Test detected 2 threads. 43: [ OK ] DensityFittingTest.GromppErrorWhenEnergyEvaluationFrequencyMismatch (7 ms) 43: [ RUN ] DensityFittingTest.CheckpointWorks 43: 43: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks_input.mdp]: 43: Setting nstcalcenergy (100) equal to nstenergy (2) 43: 43: Setting the LD random seed to -67414305 43: Generated 1 of the 1 non-bonded parameter combinations 43: Excluding 1 bonded neighbours molecule type 'Argon' 43: Number of degrees of freedom in T-Coupling group rest is 33.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks_input.mdp]: 43: NVE simulation: will use the initial temperature of 68.810 K for 43: determining the Verlet buffer size 43: 43: 43: There were 2 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 43: Can not increase nstlist because an NVE ensemble is used 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: starting mdrun 'Argon' 43: 2 steps, 0.0 ps. 43: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 68.8096 K 43: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 43: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 43: Note that mdrun will redetermine rlist based on the actual pair-list setup 43: This run will generate roughly 0 Mb of data 43: 43: Writing final coordinates. 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.008 0.004 197.5 43: (ns/day) (hour/ns) 43: Performance: 64.398 0.373 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 43: 43: Overriding nsteps with value passed on the command line: 4 steps, 0.004 ps 43: Can not increase nstlist because an NVE ensemble is used 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: starting mdrun 'Argon' 43: 6 steps, 0.0 ps (continuing from step 2, 0.0 ps). 43: 43: Writing final coordinates. 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.004 0.002 196.4 43: (ns/day) (hour/ns) 43: Performance: 202.905 0.118 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DensityFittingTest_CheckpointWorks.edr as double precision energy file 43: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.002 Last energy frame read 1 time 0.002 [ OK ] DensityFittingTest.CheckpointWorks (20 ms) 43: [----------] 4 tests from DensityFittingTest (171 ms total) 43: 43: [----------] 4 tests from MimicTest 43: [ RUN ] MimicTest.OneQuantumMol 43: 43: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol_input.mdp]: 43: For a correct single-point energy evaluation with nsteps = 0, use 43: continuation = yes to avoid constraining the input coordinates. 43: 43: Setting the LD random seed to -72884289 43: Generated 10 of the 10 non-bonded parameter combinations 43: Generating 1-4 interactions: fudge = 0.5 43: Generated 10 of the 10 1-4 parameter combinations 43: Excluding 2 bonded neighbours molecule type 'SOL' 43: Number of degrees of freedom in T-Coupling group rest is 21.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol_input.mdp]: 43: NVE simulation with an initial temperature of zero: will use a Verlet 43: buffer of 10%. Check your energy drift! 43: 43: 43: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol_input.mdp]: 43: You are using a plain Coulomb cut-off, which might produce artifacts. 43: You might want to consider using PME electrostatics. 43: 43: 43: 43: There were 3 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 43: Can not increase nstlist because an NVE ensemble is used 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: starting md rerun 'Generated by gmx solvate', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/4water.gro' 43: 43: Reading frames from gro file 'Generated by gmx solvate', 12 atoms. 43: Reading frame 0 time 0.000 Last frame 0 time 0.000 43: 43: NOTE: 17 % of the run time was spent in pair search, 43: you might want to increase nstlist (this has no effect on accuracy) 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.001 0.000 187.8 43: (ns/day) (hour/ns) 43: Performance: 206.724 0.116 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as double precision energy file 43: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 43: [ OK ] MimicTest.OneQuantumMol (36 ms) 43: [ RUN ] MimicTest.AllQuantumMol 43: 43: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]: 43: For a correct single-point energy evaluation with nsteps = 0, use 43: continuation = yes to avoid constraining the input coordinates. 43: 43: Setting the LD random seed to -281105 43: Generated 10 of the 10 non-bonded parameter combinations 43: Generating 1-4 interactions: fudge = 0.5 43: Generated 10 of the 10 1-4 parameter combinations 43: Excluding 2 bonded neighbours molecule type 'SOL' 43: Number of degrees of freedom in T-Coupling group rest is 21.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]: 43: NVE simulation with an initial temperature of zero: will use a Verlet 43: buffer of 10%. Check your energy drift! 43: 43: 43: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]: 43: You are using a plain Coulomb cut-off, which might produce artifacts. 43: You might want to consider using PME electrostatics. 43: 43: 43: 43: There were 3 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 43: Can not increase nstlist because an NVE ensemble is used 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: starting md rerun 'Generated by gmx solvate', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/4water.gro' 43: 43: Reading frames from gro file 'Generated by gmx solvate', 12 atoms. 43: Reading frame 0 time 0.000 Last frame 0 time 0.000 43: 43: NOTE: 17 % of the run time was spent in pair search, 43: you might want to increase nstlist (this has no effect on accuracy) 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.001 0.000 186.6 43: (ns/day) (hour/ns) 43: Performance: 188.645 0.127 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as double precision energy file 43: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 43: [ OK ] MimicTest.AllQuantumMol (18 ms) 43: [ RUN ] MimicTest.TwoQuantumMol 43: 43: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]: 43: For a correct single-point energy evaluation with nsteps = 0, use 43: continuation = yes to avoid constraining the input coordinates. 43: 43: Setting the LD random seed to -1241555986 43: Generated 10 of the 10 non-bonded parameter combinations 43: Generating 1-4 interactions: fudge = 0.5 43: Generated 10 of the 10 1-4 parameter combinations 43: Excluding 2 bonded neighbours molecule type 'SOL' 43: Number of degrees of freedom in T-Coupling group rest is 21.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]: 43: NVE simulation with an initial temperature of zero: will use a Verlet 43: buffer of 10%. Check your energy drift! 43: 43: 43: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]: 43: You are using a plain Coulomb cut-off, which might produce artifacts. 43: You might want to consider using PME electrostatics. 43: 43: 43: 43: There were 3 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 43: Can not increase nstlist because an NVE ensemble is used 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: starting md rerun 'Generated by gmx solvate', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/4water.gro' 43: 43: Reading frames from gro file 'Generated by gmx solvate', 12 atoms. 43: Reading frame 0 time 0.000 Last frame 0 time 0.000 43: 43: NOTE: 15 % of the run time was spent in pair search, 43: you might want to increase nstlist (this has no effect on accuracy) 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.001 0.000 187.7 43: (ns/day) (hour/ns) 43: Performance: 184.328 0.130 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as double precision energy file 43: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 43: [ OK ] MimicTest.TwoQuantumMol (16 ms) 43: [ RUN ] MimicTest.BondCuts 43: 43: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]: 43: For a correct single-point energy evaluation with nsteps = 0, use 43: continuation = yes to avoid constraining the input coordinates. 43: 43: Setting the LD random seed to -740839591 43: Generated 2211 of the 2211 non-bonded parameter combinations 43: Generating 1-4 interactions: fudge = 0.5 43: Generated 2211 of the 2211 1-4 parameter combinations 43: Excluding 3 bonded neighbours molecule type 'Protein_chain_A' 43: Number of degrees of freedom in T-Coupling group rest is 66.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]: 43: NVE simulation: will use the initial temperature of 300.368 K for 43: determining the Verlet buffer size 43: 43: 43: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]: 43: You are using a plain Coulomb cut-off, which might produce artifacts. 43: You might want to consider using PME electrostatics. 43: 43: 43: 43: There were 3 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 43: Can not increase nstlist because an NVE ensemble is used 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: starting md rerun 'UNNAMED in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/ala.gro' 43: 43: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms. 43: Reading frame 0 time 0.000 Last frame 0 time 0.000 43: 43: NOTE: 22 % of the run time was spent in pair search, 43: you might want to increase nstlist (this has no effect on accuracy) 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.001 0.001 191.8 43: (ns/day) (hour/ns) 43: Performance: 155.732 0.154 43: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as double precision energy file 43: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300.368 K 43: Calculated rlist for 1x1 atom pair-list as 1.034 nm, buffer size 0.034 nm 43: Set rlist, assuming 4x4 atom pair-list, to 1.025 nm, buffer size 0.025 nm 43: Note that mdrun will redetermine rlist based on the actual pair-list setup 43: This run will generate roughly 0 Mb of data 43: [ OK ] MimicTest.BondCuts (66 ms) 43: [----------] 4 tests from MimicTest (136 ms total) 43: 43: [----------] 2 tests from WithIntegrator/ImdTest 43: [ RUN ] WithIntegrator/ImdTest.ImdCanRun/0 43: Setting the LD random seed to -570692867 43: Generated 20503 of the 20503 non-bonded parameter combinations 43: Generating 1-4 interactions: fudge = 1 43: Generated 17396 of the 20503 1-4 parameter combinations 43: Excluding 3 bonded neighbours molecule type 'Glycine' 43: 43: NOTE 1 [file glycine_vacuo.top, line 12]: 43: The bond in molecule-type Glycine between atoms 1 N and 2 H1 has an 43: estimated oscillational period of 1.0e-02 ps, which is less than 10 times 43: the time step of 2.0e-03 ps. 43: Maybe you forgot to change the constraints mdp option. 43: 43: Group 'Heavy_Atoms' with 5 atoms can be activated for interactive molecular dynamics (IMD). 43: Number of degrees of freedom in T-Coupling group System is 27.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_0_input.mdp]: 43: You are using a plain Coulomb cut-off, which might produce artifacts. 43: You might want to consider using PME electrostatics. 43: 43: 43: 43: There were 2 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 43: Changing nstlist from 10 to 50, rlist from 1.026 to 1.34 43: 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: IMD: Enabled. This simulation will accept incoming IMD connections. 43: IMD: Pulling from IMD remote is enabled (-imdpull). 43: IMD: Setting port for connection requests to 0. 43: IMD: Setting up incoming socket. 43: IMD: Listening for IMD connection on port 50145. 43: IMD: -imdwait not set, starting simulation. 43: starting mdrun 'Glycine' 43: 2 steps, 0.0 ps. 43: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K 43: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 43: Set rlist, assuming 4x4 atom pair-list, to 1.026 nm, buffer size 0.026 nm 43: Note that mdrun will redetermine rlist based on the actual pair-list setup 43: This run will generate roughly 0 Mb of data 43: 43: Writing final coordinates. 43: 43: Core t (s) Wall t (s) (%) 43: Time: 0.006 0.003 193.0 43: (ns/day) (hour/ns) 43: Performance: 174.869 0.137 43: [ OK ] WithIntegrator/ImdTest.ImdCanRun/0 (204 ms) 43: [ RUN ] WithIntegrator/ImdTest.ImdCanRun/1 43: 43: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_1_input.mdp]: 43: Setting tcoupl from 'V-rescale' to 'no'. Temperature coupling does not 43: apply to steep. 43: 43: Setting the LD random seed to -1573137 43: Generated 20503 of the 20503 non-bonded parameter combinations 43: Generating 1-4 interactions: fudge = 1 43: Generated 17396 of the 20503 1-4 parameter combinations 43: Excluding 3 bonded neighbours molecule type 'Glycine' 43: Group 'Heavy_Atoms' with 5 atoms can be activated for interactive molecular dynamics (IMD). 43: Number of degrees of freedom in T-Coupling group System is 27.00 43: 43: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_1_input.mdp]: 43: You are using a plain Coulomb cut-off, which might produce artifacts. 43: You might want to consider using PME electrostatics. 43: 43: 43: 43: There were 2 notes 43: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 43: log). 43: The current CPU can measure timings more accurately than the code in 43: mdrun-modules-test was configured to use. This might affect your simulation 43: speed as accurate timings are needed for load-balancing. 43: Please consider rebuilding mdrun-modules-test with the GMX_USE_RDTSCP=ON CMake option. 43: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/WithIntegrator_ImdTest_ImdCanRun_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 43: 43: Using 1 MPI thread 43: 43: Non-default thread affinity set, disabling internal thread affinity 43: 43: Using 2 OpenMP threads 43: 43: IMD: Enabled. This simulation will accept incoming IMD connections. 43: IMD: Pulling from IMD remote is enabled (-imdpull). 43: IMD: Setting port for connection requests to 0. 43: IMD: Setting up incoming socket. 43: IMD: Listening for IMD connection on port 51767. 43: IMD: -imdwait not set, starting simulation. 43: 43: Steepest Descents: 43: Tolerance (Fmax) = 1.00000e+01 43: Number of steps = 2 43: 43: Energy minimization reached the maximum number of steps before the forces 43: reached the requested precision Fmax < 10. 43: 43: writing lowest energy coordinates. 43: 43: Steepest Descents did not converge to Fmax < 10 in 3 steps. 43: Potential Energy = 1.19770464690297e+03 43: Maximum force = 1.77948604657897e+04 on atom 9 43: Norm of force = 7.87328617833981e+03 43: This run will generate roughly 0 Mb of data 43: [ OK ] WithIntegrator/ImdTest.ImdCanRun/1 (187 ms) 43: [----------] 2 tests from WithIntegrator/ImdTest (391 ms total) 43: 43: [----------] Global test environment tear-down 43: [==========] 10 tests from 3 test cases ran. (698 ms total) 43: [ PASSED ] 10 tests. 43/54 Test #43: MdrunModulesTests ................... Passed 0.74 sec test 44 Start 44: MdrunIOTests 44: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/mdrun-io-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MdrunIOTests.xml" 44: Test timeout computed to be: 600 44: [==========] Running 51 tests from 9 test cases. 44: [----------] Global test environment set-up. 44: [----------] 3 tests from GromppTest 44: [ RUN ] GromppTest.EmptyMdpFileWorks 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_EmptyMdpFileWorks_input.mdp]: 44: For a correct single-point energy evaluation with nsteps = 0, use 44: continuation = yes to avoid constraining the input coordinates. 44: 44: Setting the LD random seed to -101399740 44: Generated 8 of the 10 non-bonded parameter combinations 44: Excluding 2 bonded neighbours molecule type 'Methanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group rest is 12.00 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_EmptyMdpFileWorks_input.mdp]: 44: NVE simulation: will use the initial temperature of 1046.791 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_EmptyMdpFileWorks_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 44: Calculated rlist for 1x1 atom pair-list as 1.061 nm, buffer size 0.061 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.056 nm, buffer size 0.056 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: [ OK ] GromppTest.EmptyMdpFileWorks (6 ms) 44: [ RUN ] GromppTest.SimulatedAnnealingWorks 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorks_input.mdp]: 44: For a correct single-point energy evaluation with nsteps = 0, use 44: continuation = yes to avoid constraining the input coordinates. 44: 44: Setting the LD random seed to -1311047 44: Generated 8 of the 10 non-bonded parameter combinations 44: Excluding 2 bonded neighbours molecule type 'Methanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Simulated annealing for group rest: Periodic, 4 timepoints 44: Time (ps) Temperature (K) 44: 0.0 298.0 44: 2.0 320.0 44: 4.0 320.0 44: 6.0 298.0 44: Number of degrees of freedom in T-Coupling group rest is 12.00 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorks_input.mdp]: 44: NVE simulation: will use the initial temperature of 1046.791 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorks_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 44: Calculated rlist for 1x1 atom pair-list as 1.061 nm, buffer size 0.061 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.056 nm, buffer size 0.056 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: [ OK ] GromppTest.SimulatedAnnealingWorks (5 ms) 44: [ RUN ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorksWithMultipleGroups_input.mdp]: 44: For a correct single-point energy evaluation with nsteps = 0, use 44: continuation = yes to avoid constraining the input coordinates. 44: 44: Setting the LD random seed to -269500433 44: Generated 8 of the 10 non-bonded parameter combinations 44: Excluding 2 bonded neighbours molecule type 'Methanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Simulated annealing for group Methanol: Single, 3 timepoints 44: Time (ps) Temperature (K) 44: 0.0 298.0 44: 3.0 280.0 44: 6.0- 270.0 44: Simulated annealing for group SOL: Periodic, 4 timepoints 44: Time (ps) Temperature (K) 44: 0.0 298.0 44: 2.0 320.0 44: 4.0 320.0 44: 6.0 298.0 44: Number of degrees of freedom in T-Coupling group Methanol is 7.20 44: Number of degrees of freedom in T-Coupling group SOL is 4.80 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorksWithMultipleGroups_input.mdp]: 44: NVE simulation: will use the initial temperature of 1046.791 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/GromppTest_SimulatedAnnealingWorksWithMultipleGroups_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 44: Calculated rlist for 1x1 atom pair-list as 1.061 nm, buffer size 0.061 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.056 nm, buffer size 0.056 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: [ OK ] GromppTest.SimulatedAnnealingWorksWithMultipleGroups (6 ms) 44: [----------] 3 tests from GromppTest (17 ms total) 44: 44: [----------] 6 tests from MdrunTerminationTest 44: [ RUN ] MdrunTerminationTest.CheckpointRestartAppendsByDefault 44: Setting the LD random seed to -284328341 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There was 1 note 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 2 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.039 0.020 198.4 44: (ns/day) (hour/ns) 44: Performance: 13.194 1.819 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Setting nsteps to 4 44: Writing statusfile with starting step 0 and length 4 steps... 44: time 0.000 and length 0.004 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartAppendsByDefault.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 4 steps, 0.0 ps (continuing from step 2, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.002 190.0 44: (ns/day) (hour/ns) 44: Performance: 107.704 0.223 44: [ OK ] MdrunTerminationTest.CheckpointRestartAppendsByDefault (93 ms) 44: [ RUN ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts 44: Setting the LD random seed to -281084193 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There was 1 note 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 1, rlist from 1.025 to 1 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 100 steps, 0.1 ps. 44: 44: Step 1: Run time exceeded 0.000 hours, will terminate the run within 2 steps 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 190.6 44: (ns/day) (hour/ns) 44: Performance: 86.003 0.279 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Setting nsteps to 102 44: Writing statusfile with starting step 0 and length 102 steps... 44: time 0.000 and length 0.102 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_WritesCheckpointAfterMaxhTerminationAndThenRestarts.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 102 steps, 0.1 ps (continuing from step 2, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.012 0.006 195.6 44: (ns/day) (hour/ns) 44: Performance: 1426.224 0.017 44: [ OK ] MdrunTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (27 ms) 44: [ RUN ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend 44: Setting the LD random seed to 1308622815 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There was 1 note 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 2 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.197 0.099 198.8 44: (ns/day) (hour/ns) 44: Performance: 2.613 9.186 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Setting nsteps to 4 44: Writing statusfile with starting step 0 and length 4 steps... 44: time 0.000 and length 0.004 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 4 steps, 0.0 ps (continuing from step 2, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 198.3 44: (ns/day) (hour/ns) 44: Performance: 61.767 0.389 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Setting nsteps to 6 44: Writing statusfile with starting step 0 and length 6 steps... 44: time 0.000 and length 0.006 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 6 steps, 0.0 ps (continuing from step 4, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 198.2 44: (ns/day) (hour/ns) 44: Performance: 79.874 0.300 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Setting nsteps to 8 44: Writing statusfile with starting step 0 and length 8 steps... 44: time 0.000 and length 0.008 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 8 steps, 0.0 ps (continuing from step 6, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 197.8 44: (ns/day) (hour/ns) 44: Performance: 139.291 0.172 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWithNoAppendWorksAndCannotLaterAppend.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 8 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: NOTE: 27 % of the run time was spent in pair search, 44: you might want to increase nstlist (this has no effect on accuracy) 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.000 0.000 180.3 44: (ns/day) (hour/ns) 44: Performance: 496.422 0.048 44: [ OK ] MdrunTerminationTest.CheckpointRestartWithNoAppendWorksAndCannotLaterAppend (188 ms) 44: [ RUN ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile 44: Setting the LD random seed to 1069251965 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There was 1 note 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 2 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 195.3 44: (ns/day) (hour/ns) 44: Performance: 134.850 0.178 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Setting nsteps to 4 44: Writing statusfile with starting step 0 and length 4 steps... 44: time 0.000 and length 0.004 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 4 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.003 0.002 193.7 44: (ns/day) (hour/ns) 44: Performance: 259.851 0.092 44: [ OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithMissingCheckpointFile (11 ms) 44: [ RUN ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile 44: Setting the LD random seed to -1644298818 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There was 1 note 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 2 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.003 0.002 194.0 44: (ns/day) (hour/ns) 44: Performance: 157.014 0.153 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Setting nsteps to 4 44: Writing statusfile with starting step 0 and length 4 steps... 44: time 0.000 and length 0.004 ps 44: [ OK ] MdrunTerminationTest.CheckpointRestartWorksEvenWithAppendAndMissingCheckpointFile (8 ms) 44: [ RUN ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles 44: Setting the LD random seed to -252449069 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There was 1 note 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 2 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 1.026 nm, buffer size 0.026 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.024 nm, buffer size 0.024 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 194.7 44: (ns/day) (hour/ns) 44: Performance: 80.501 0.298 44: Reading toplogy and stuff from /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Setting nsteps to 4 44: Writing statusfile with starting step 0 and length 4 steps... 44: time 0.000 and length 0.004 ps 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunTerminationTest_RunWithNoAppendCreatesPartFiles.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 10 to 80, rlist from 1.025 to 1.254 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 4 steps, 0.0 ps (continuing from step 2, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 197.6 44: (ns/day) (hour/ns) 44: Performance: 121.729 0.197 44: [ OK ] MdrunTerminationTest.RunWithNoAppendCreatesPartFiles (63 ms) 44: [----------] 6 tests from MdrunTerminationTest (390 ms total) 44: 44: [----------] 12 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.009 0.005 197.6 44: (ns/day) (hour/ns) 44: Performance: 315.556 0.076 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 193.7 44: (ns/day) (hour/ns) 44: Performance: 277.196 0.087 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 191.3 44: (ns/day) (hour/ns) 44: Performance: 237.320 0.101 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (28 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 196.2 44: (ns/day) (hour/ns) 44: Performance: 387.410 0.062 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 198.1 44: (ns/day) (hour/ns) 44: Performance: 281.990 0.085 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 198.2 44: (ns/day) (hour/ns) 44: Performance: 295.452 0.081 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (82 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.708 nm, buffer size 0.008 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.708 nm, buffer size 0.008 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.708 nm, buffer size 0.008 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.708 nm, buffer size 0.008 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 196.7 44: (ns/day) (hour/ns) 44: Performance: 567.117 0.042 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 188.9 44: (ns/day) (hour/ns) 44: Performance: 372.019 0.065 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.010 0.005 197.7 44: (ns/day) (hour/ns) 44: Performance: 161.756 0.148 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (23 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.009 0.004 196.8 44: (ns/day) (hour/ns) 44: Performance: 336.002 0.071 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 191.1 44: (ns/day) (hour/ns) 44: Performance: 231.871 0.104 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 194.6 44: (ns/day) (hour/ns) 44: Performance: 234.572 0.102 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (81 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: NVE simulation: will use the initial temperature of 2573.591 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: NVE simulation: will use the initial temperature of 2573.591 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 2573.59 K 44: Calculated rlist for 1x1 atom pair-list as 0.880 nm, buffer size 0.180 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.880 nm, buffer size 0.180 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 2573.59 K 44: Calculated rlist for 1x1 atom pair-list as 0.880 nm, buffer size 0.180 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.880 nm, buffer size 0.180 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 196.5 44: (ns/day) (hour/ns) 44: Performance: 409.423 0.059 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 197.0 44: (ns/day) (hour/ns) 44: Performance: 218.131 0.110 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.104 0.052 199.6 44: (ns/day) (hour/ns) 44: Performance: 14.900 1.611 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (77 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: NVE simulation: will use the initial temperature of 2573.591 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: NVE simulation: will use the initial temperature of 2573.591 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 2573.59 K 44: Calculated rlist for 1x1 atom pair-list as 0.880 nm, buffer size 0.180 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.880 nm, buffer size 0.180 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 2573.59 K 44: Calculated rlist for 1x1 atom pair-list as 0.880 nm, buffer size 0.180 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.880 nm, buffer size 0.180 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 198.4 44: (ns/day) (hour/ns) 44: Performance: 386.244 0.062 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 198.2 44: (ns/day) (hour/ns) 44: Performance: 281.722 0.085 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 198.3 44: (ns/day) (hour/ns) 44: Performance: 258.009 0.093 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (26 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.731 to 0.816 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.731 nm, buffer size 0.031 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.731 nm, buffer size 0.031 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.731 nm, buffer size 0.031 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.731 nm, buffer size 0.031 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.003 195.9 44: (ns/day) (hour/ns) 44: Performance: 433.052 0.055 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.731 to 0.816 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.111 0.056 199.4 44: (ns/day) (hour/ns) 44: Performance: 13.988 1.716 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.731 to 0.816 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 1.003 0.502 200.0 44: (ns/day) (hour/ns) 44: Performance: 1.550 15.487 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (579 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 3 of the 3 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 3 of the 3 1-4 parameter combinations 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 9.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 25, rlist from 0.754 to 0.9 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.754 nm, buffer size 0.054 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.754 nm, buffer size 0.054 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.754 nm, buffer size 0.054 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.754 nm, buffer size 0.054 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 197.0 44: (ns/day) (hour/ns) 44: Performance: 472.837 0.051 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 25, rlist from 0.754 to 0.9 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.002 192.7 44: (ns/day) (hour/ns) 44: Performance: 314.300 0.076 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 25, rlist from 0.754 to 0.9 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc2' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 194.7 44: (ns/day) (hour/ns) 44: Performance: 277.526 0.086 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_7_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (22 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: NVE simulation: will use the initial temperature of 456.887 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 6 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 6 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: NVE simulation: will use the initial temperature of 456.887 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 6 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 6 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps. 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 456.887 K 44: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 456.887 K 44: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.013 0.007 196.5 44: (ns/day) (hour/ns) 44: Performance: 220.218 0.109 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 194.6 44: (ns/day) (hour/ns) 44: Performance: 217.636 0.110 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 195.1 44: (ns/day) (hour/ns) 44: Performance: 196.452 0.122 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (112 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: NVE simulation: will use the initial temperature of 456.887 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 6 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 6 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: NVE simulation: will use the initial temperature of 456.887 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 6 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 6 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps. 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 456.887 K 44: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 456.887 K 44: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.010 0.005 197.3 44: (ns/day) (hour/ns) 44: Performance: 276.943 0.087 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.003 195.9 44: (ns/day) (hour/ns) 44: Performance: 230.120 0.104 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 196.0 44: (ns/day) (hour/ns) 44: Performance: 212.600 0.113 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (104 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 5 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 5 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.745 to 0.873 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps. 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.748 nm, buffer size 0.048 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.744 nm, buffer size 0.044 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.748 nm, buffer size 0.048 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.744 nm, buffer size 0.044 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.010 0.005 197.0 44: (ns/day) (hour/ns) 44: Performance: 280.780 0.085 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.745 to 0.873 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.086 0.043 199.3 44: (ns/day) (hour/ns) 44: Performance: 18.042 1.330 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.745 to 0.873 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.011 0.005 195.9 44: (ns/day) (hour/ns) 44: Performance: 141.755 0.169 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_10_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (183 ms) 44: [ RUN ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 5 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2145 of the 2145 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2145 of the 2145 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 44: 44: NOTE 3 [file unknown]: 44: You are using constraints on all bonds, whereas the forcefield has been 44: parametrized only with constraints involving hydrogen atoms. We suggest 44: using constraints = h-bonds instead, this will also improve performance. 44: 44: Cleaning up constraints and constant bonded interactions with virtual sites 44: Removed 18 Angles with virtual sites, 21 left 44: Removed 10 Proper Dih.s with virtual sites, 44 left 44: Converted 15 Constraints with virtual sites to connections, 7 left 44: Number of degrees of freedom in T-Coupling group System is 23.00 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: There are 9 non-linear virtual site constructions. Their contribution to 44: the energy error is approximated. In most cases this does not affect the 44: error significantly. 44: 44: 44: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 5 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 40, rlist from 0.727 to 0.874 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps. 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.729 nm, buffer size 0.029 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.726 nm, buffer size 0.026 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning all bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.729 nm, buffer size 0.029 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.726 nm, buffer size 0.026 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.015 0.007 197.7 44: (ns/day) (hour/ns) 44: Performance: 195.935 0.122 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 40, rlist from 0.727 to 0.874 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 196.0 44: (ns/day) (hour/ns) 44: Performance: 182.216 0.132 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 40, rlist from 0.727 to 0.874 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Alanine dipeptide in vacuo' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.009 0.005 193.5 44: (ns/day) (hour/ns) 44: Performance: 158.417 0.151 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegrators_MdrunNoAppendContinuationIsExact_WithinTolerances_11_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegrators/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (193 ms) 44: [----------] 12 tests from NormalIntegrators/MdrunNoAppendContinuationIsExact (1510 ms total) 44: 44: [----------] 4 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact 44: [ RUN ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 293.480 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 293.480 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 44: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 44: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.036 0.018 198.9 44: (ns/day) (hour/ns) 44: Performance: 81.185 0.296 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 194.6 44: (ns/day) (hour/ns) 44: Performance: 194.495 0.123 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.010 0.005 196.2 44: (ns/day) (hour/ns) 44: Performance: 149.281 0.161 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (733 ms) 44: [ RUN ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 293.480 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 293.480 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 4 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 44: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 44: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.012 0.006 198.7 44: (ns/day) (hour/ns) 44: Performance: 245.413 0.098 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 198.3 44: (ns/day) (hour/ns) 44: Performance: 185.133 0.130 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.009 0.004 198.3 44: (ns/day) (hour/ns) 44: Performance: 173.539 0.138 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (87 ms) 44: [ RUN ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.728 to 0.807 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.729 nm, buffer size 0.029 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.728 nm, buffer size 0.028 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.729 nm, buffer size 0.029 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.728 nm, buffer size 0.028 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.015 0.007 197.6 44: (ns/day) (hour/ns) 44: Performance: 197.563 0.121 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.728 to 0.807 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 193.9 44: (ns/day) (hour/ns) 44: Performance: 208.083 0.115 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.728 to 0.807 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.010 0.005 193.7 44: (ns/day) (hour/ns) 44: Performance: 146.406 0.164 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (181 ms) 44: [ RUN ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 2485 of the 2485 non-bonded parameter combinations 44: Generating 1-4 interactions: fudge = 0.5 44: Generated 2485 of the 2485 1-4 parameter combinations 44: Excluding 3 bonded neighbours molecule type 'nonanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group System is 79.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 44: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 1.097 0.549 200.0 44: (ns/day) (hour/ns) 44: Performance: 2.677 8.965 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.014 0.007 194.0 44: (ns/day) (hour/ns) 44: Performance: 108.814 0.221 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun '30 system in water' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.011 0.006 195.1 44: (ns/day) (hour/ns) 44: Performance: 136.156 0.176 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalIntegratorsWithFEP_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (645 ms) 44: [----------] 4 tests from NormalIntegratorsWithFEP/MdrunNoAppendContinuationIsExact (1646 ms total) 44: 44: [----------] 6 tests from NVT/MdrunNoAppendContinuationIsExact 44: [ RUN ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 195.7 44: (ns/day) (hour/ns) 44: Performance: 397.843 0.060 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 196.6 44: (ns/day) (hour/ns) 44: Performance: 310.234 0.077 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 196.4 44: (ns/day) (hour/ns) 44: Performance: 293.511 0.082 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (54 ms) 44: [ RUN ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 196.8 44: (ns/day) (hour/ns) 44: Performance: 584.109 0.041 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 196.1 44: (ns/day) (hour/ns) 44: Performance: 403.101 0.060 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 194.3 44: (ns/day) (hour/ns) 44: Performance: 346.341 0.069 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (19 ms) 44: [ RUN ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.506 0.253 199.9 44: (ns/day) (hour/ns) 44: Performance: 5.802 4.137 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.016 0.008 198.0 44: (ns/day) (hour/ns) 44: Performance: 96.706 0.248 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 197.1 44: (ns/day) (hour/ns) 44: Performance: 293.010 0.082 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (278 ms) 44: [ RUN ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 196.9 44: (ns/day) (hour/ns) 44: Performance: 535.285 0.045 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 196.4 44: (ns/day) (hour/ns) 44: Performance: 370.540 0.065 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 195.6 44: (ns/day) (hour/ns) 44: Performance: 359.869 0.067 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (20 ms) 44: [ RUN ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 198.2 44: (ns/day) (hour/ns) 44: Performance: 515.358 0.047 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 198.7 44: (ns/day) (hour/ns) 44: Performance: 259.549 0.092 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.293 0.147 199.9 44: (ns/day) (hour/ns) 44: Performance: 5.300 4.528 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (166 ms) 44: [ RUN ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 196.6 44: (ns/day) (hour/ns) 44: Performance: 510.956 0.047 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.010 0.005 197.0 44: (ns/day) (hour/ns) 44: Performance: 156.419 0.153 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 196.4 44: (ns/day) (hour/ns) 44: Performance: 288.296 0.083 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NVT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NVT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (26 ms) 44: [----------] 6 tests from NVT/MdrunNoAppendContinuationIsExact (563 ms total) 44: 44: [----------] 4 tests from NPH/MdrunNoAppendContinuationIsExact 44: [ RUN ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 196.2 44: (ns/day) (hour/ns) 44: Performance: 555.559 0.043 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 195.6 44: (ns/day) (hour/ns) 44: Performance: 364.698 0.066 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 196.1 44: (ns/day) (hour/ns) 44: Performance: 340.128 0.071 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (19 ms) 44: [ RUN ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 196.8 44: (ns/day) (hour/ns) 44: Performance: 413.685 0.058 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.002 195.9 44: (ns/day) (hour/ns) 44: Performance: 321.171 0.075 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 195.2 44: (ns/day) (hour/ns) 44: Performance: 299.824 0.080 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (69 ms) 44: [ RUN ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/2 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 197.2 44: (ns/day) (hour/ns) 44: Performance: 396.945 0.060 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.002 196.2 44: (ns/day) (hour/ns) 44: Performance: 319.942 0.075 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.002 196.3 44: (ns/day) (hour/ns) 44: Performance: 335.890 0.071 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (24 ms) 44: [ RUN ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/3 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: NVE simulation: will use the initial temperature of 68.810 K for 44: determining the Verlet buffer size 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.114 0.057 199.8 44: (ns/day) (hour/ns) 44: Performance: 25.761 0.932 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.003 197.5 44: (ns/day) (hour/ns) 44: Performance: 232.416 0.103 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 198.2 44: (ns/day) (hour/ns) 44: Performance: 184.088 0.130 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPH_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPH/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (79 ms) 44: [----------] 4 tests from NPH/MdrunNoAppendContinuationIsExact (191 ms total) 44: 44: [----------] 12 tests from NPT/MdrunNoAppendContinuationIsExact 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 195.2 44: (ns/day) (hour/ns) 44: Performance: 485.583 0.049 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.002 193.9 44: (ns/day) (hour/ns) 44: Performance: 322.728 0.074 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 194.4 44: (ns/day) (hour/ns) 44: Performance: 296.715 0.081 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (22 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.003 195.0 44: (ns/day) (hour/ns) 44: Performance: 425.132 0.056 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 195.3 44: (ns/day) (hour/ns) 44: Performance: 338.997 0.071 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 194.1 44: (ns/day) (hour/ns) 44: Performance: 340.839 0.070 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_1_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/1 (75 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 195.1 44: (ns/day) (hour/ns) 44: Performance: 520.452 0.046 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.002 194.3 44: (ns/day) (hour/ns) 44: Performance: 321.297 0.075 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 193.9 44: (ns/day) (hour/ns) 44: Performance: 359.670 0.067 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_2_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/2 (22 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 195.4 44: (ns/day) (hour/ns) 44: Performance: 356.784 0.067 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 195.3 44: (ns/day) (hour/ns) 44: Performance: 271.882 0.088 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.003 196.0 44: (ns/day) (hour/ns) 44: Performance: 225.818 0.106 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_3_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/3 (78 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 44: 44: 44: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Using Berendsen pressure coupling invalidates the true ensemble for the 44: thermostat 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: There was 1 warning 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 44: 44: 44: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_input.mdp]: 44: Using Berendsen pressure coupling invalidates the true ensemble for the 44: thermostat 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: There was 1 warning 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.002 196.6 44: (ns/day) (hour/ns) 44: Performance: 593.392 0.040 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.002 196.4 44: (ns/day) (hour/ns) 44: Performance: 325.628 0.074 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 196.2 44: (ns/day) (hour/ns) 44: Performance: 370.877 0.065 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_4_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/4 (19 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_input.mdp]: 44: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.106 0.053 199.7 44: (ns/day) (hour/ns) 44: Performance: 27.604 0.869 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.195 0.097 199.8 44: (ns/day) (hour/ns) 44: Performance: 7.987 3.005 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 194.9 44: (ns/day) (hour/ns) 44: Performance: 270.933 0.089 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_5_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/5 (172 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_input.mdp]: 44: The Berendsen thermostat does not generate the correct kinetic energy 44: distribution. You might want to consider using the V-rescale thermostat. 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 195.6 44: (ns/day) (hour/ns) 44: Performance: 395.645 0.061 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.002 195.6 44: (ns/day) (hour/ns) 44: Performance: 333.349 0.072 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.002 196.2 44: (ns/day) (hour/ns) 44: Performance: 313.756 0.076 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_6_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/6 (22 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 44: [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/7 (0 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/8 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 196.3 44: (ns/day) (hour/ns) 44: Performance: 501.187 0.048 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 195.0 44: (ns/day) (hour/ns) 44: Performance: 277.102 0.087 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.101 0.051 199.4 44: (ns/day) (hour/ns) 44: Performance: 15.384 1.560 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_8_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/8 (72 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/9 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.008 0.004 198.0 44: (ns/day) (hour/ns) 44: Performance: 368.346 0.065 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.004 198.5 44: (ns/day) (hour/ns) 44: Performance: 211.620 0.113 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.007 0.003 198.7 44: (ns/day) (hour/ns) 44: Performance: 233.614 0.103 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NPT_MdrunNoAppendContinuationIsExact_WithinTolerances_9_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/9 (28 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/10 44: [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/10 (0 ms) 44: [ RUN ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/11 44: [ OK ] NPT/MdrunNoAppendContinuationIsExact.WithinTolerances/11 (0 ms) 44: [----------] 12 tests from NPT/MdrunNoAppendContinuationIsExact (510 ms total) 44: 44: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact 44: [ RUN ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 44: that with the Verlet scheme, nstlist has no effect on the accuracy of 44: your simulation. 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_input.mdp]: 44: Setting nstcalcenergy (100) equal to nstenergy (4) 44: 44: Generated 1 of the 1 non-bonded parameter combinations 44: Excluding 1 bonded neighbours molecule type 'Argon' 44: Number of degrees of freedom in T-Coupling group System is 33.00 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps. 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 44: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 44: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.006 0.003 195.9 44: (ns/day) (hour/ns) 44: Performance: 453.619 0.053 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 8 steps, 0.0 ps. 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.003 195.3 44: (ns/day) (hour/ns) 44: Performance: 278.903 0.086 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 44: 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'Argon' 44: 16 steps, 0.0 ps (continuing from step 8, 0.0 ps). 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.105 0.052 199.7 44: (ns/day) (hour/ns) 44: Performance: 14.850 1.616 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_secondpart.part0002.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_firstpart.edr as double precision energy file 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MTTK_MdrunNoAppendContinuationIsExact_WithinTolerances_0_full.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Last energy frame read 2 time 0.008 Reading energy frame 0 time 0.008 Reading energy frame 1 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 2 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 2 time 0.016 [ OK ] MTTK/MdrunNoAppendContinuationIsExact.WithinTolerances/0 (72 ms) 44: [----------] 1 test from MTTK/MdrunNoAppendContinuationIsExact (72 ms total) 44: 44: [----------] 3 tests from Checking/InitialConstraintsTest 44: [ RUN ] Checking/InitialConstraintsTest.Works/0 44: Setting the LD random seed to -840970241 44: Generated 8 of the 10 non-bonded parameter combinations 44: Excluding 2 bonded neighbours molecule type 'Methanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group rest is 11.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_0_input.mdp]: 44: NVE simulation: will use the initial temperature of 1141.954 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_0_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc-and-methanol' 44: 1 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 0.0001 kJ/mol/ps at 1141.95 K 44: Calculated rlist for 1x1 atom pair-list as 1.101 nm, buffer size 0.101 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.096 nm, buffer size 0.096 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.010 0.005 196.5 44: (ns/day) (hour/ns) 44: Performance: 33.904 0.708 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_0_spc-and-methanol.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 [ OK ] Checking/InitialConstraintsTest.Works/0 (14 ms) 44: [ RUN ] Checking/InitialConstraintsTest.Works/1 44: Setting the LD random seed to -1227112725 44: Generated 8 of the 10 non-bonded parameter combinations 44: Excluding 2 bonded neighbours molecule type 'Methanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group rest is 11.00 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_1_input.mdp]: 44: NVE simulation: will use the initial temperature of 1141.954 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_1_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 2 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc-and-methanol' 44: 1 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 0.0001 kJ/mol/ps at 1141.95 K 44: Calculated rlist for 1x1 atom pair-list as 1.101 nm, buffer size 0.101 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.096 nm, buffer size 0.096 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.005 0.002 196.9 44: (ns/day) (hour/ns) 44: Performance: 75.348 0.319 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_1_spc-and-methanol.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 [ OK ] Checking/InitialConstraintsTest.Works/1 (8 ms) 44: [ RUN ] Checking/InitialConstraintsTest.Works/2 44: 44: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_input.mdp]: 44: Integrator method md-vv-avek is implemented primarily for validation 44: purposes; for molecular dynamics, you should probably be using md or md-vv 44: 44: Setting the LD random seed to -311494185 44: Generated 8 of the 10 non-bonded parameter combinations 44: Excluding 2 bonded neighbours molecule type 'Methanol' 44: Excluding 2 bonded neighbours molecule type 'SOL' 44: Number of degrees of freedom in T-Coupling group rest is 11.00 44: 44: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_input.mdp]: 44: NVE simulation: will use the initial temperature of 1141.954 K for 44: determining the Verlet buffer size 44: 44: 44: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_input.mdp]: 44: You are using a plain Coulomb cut-off, which might produce artifacts. 44: You might want to consider using PME electrostatics. 44: 44: 44: 44: There were 3 notes 44: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 44: log). 44: The current CPU can measure timings more accurately than the code in 44: mdrun-io-test was configured to use. This might affect your simulation 44: speed as accurate timings are needed for load-balancing. 44: Please consider rebuilding mdrun-io-test with the GMX_USE_RDTSCP=ON CMake option. 44: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 44: Can not increase nstlist because an NVE ensemble is used 44: 44: Using 1 MPI thread 44: 44: Non-default thread affinity set, disabling internal thread affinity 44: 44: Using 2 OpenMP threads 44: 44: starting mdrun 'spc-and-methanol' 44: 1 steps, 0.0 ps. 44: turning H bonds into constraints... 44: turning H bonds into constraints... 44: Determining Verlet buffer for a tolerance of 0.0001 kJ/mol/ps at 1141.95 K 44: Calculated rlist for 1x1 atom pair-list as 1.101 nm, buffer size 0.101 nm 44: Set rlist, assuming 4x4 atom pair-list, to 1.096 nm, buffer size 0.096 nm 44: Note that mdrun will redetermine rlist based on the actual pair-list setup 44: This run will generate roughly 0 Mb of data 44: 44: Writing final coordinates. 44: 44: Core t (s) Wall t (s) (%) 44: Time: 0.004 0.002 194.1 44: (ns/day) (hour/ns) 44: Performance: 78.278 0.307 44: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Checking_InitialConstraintsTest_Works_2_spc-and-methanol.edr as double precision energy file 44: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 [ OK ] Checking/InitialConstraintsTest.Works/2 (9 ms) 44: [----------] 3 tests from Checking/InitialConstraintsTest (31 ms total) 44: 44: [----------] Global test environment tear-down 44: [==========] 51 tests from 9 test cases ran. (4930 ms total) 44: [ PASSED ] 51 tests. 44/54 Test #44: MdrunIOTests ........................ Passed 5.06 sec test 45 Start 45: MdrunTests 45: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/mdrun-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MdrunTests.xml" 45: Test timeout computed to be: 600 45: [==========] Running 24 tests from 7 test cases. 45: [----------] Global test environment set-up. 45: [----------] 1 test from DispersionCorrectionTest 45: [ RUN ] DispersionCorrectionTest.DispersionCorrectionCanRun 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DispersionCorrectionTest_DispersionCorrectionCanRun_input.mdp]: 45: The Berendsen thermostat does not generate the correct kinetic energy 45: distribution. You might want to consider using the V-rescale thermostat. 45: 45: Setting the LD random seed to 2144335567 45: Generated 2145 of the 2145 non-bonded parameter combinations 45: Generating 1-4 interactions: fudge = 0.5 45: Generated 2145 of the 2145 1-4 parameter combinations 45: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 45: Cleaning up constraints and constant bonded interactions with virtual sites 45: Converted 3 Bonds with virtual sites to connections, 7 left 45: Removed 18 Angles with virtual sites, 21 left 45: Removed 10 Proper Dih.s with virtual sites, 44 left 45: Converted 12 Constraints with virtual sites to connections, 0 left 45: Number of degrees of freedom in T-Coupling group System is 30.00 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DispersionCorrectionTest_DispersionCorrectionCanRun_input.mdp]: 45: There are 9 non-linear virtual site constructions. Their contribution to 45: the energy error is approximated. In most cases this does not affect the 45: error significantly. 45: 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DispersionCorrectionTest_DispersionCorrectionCanRun_input.mdp]: 45: You are using a plain Coulomb cut-off, which might produce artifacts. 45: You might want to consider using PME electrostatics. 45: 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DispersionCorrectionTest_DispersionCorrectionCanRun.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Changing nstlist from 10 to 40, rlist from 1.019 to 1.138 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Alanine dipeptide in vacuo' 45: 200 steps, 0.4 ps. 45: turning H bonds into constraints... 45: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K 45: Calculated rlist for 1x1 atom pair-list as 1.028 nm, buffer size 0.028 nm 45: Set rlist, assuming 4x4 atom pair-list, to 1.016 nm, buffer size 0.016 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.026 0.013 199.0 45: (ns/day) (hour/ns) 45: Performance: 2687.375 0.009 45: [ OK ] DispersionCorrectionTest.DispersionCorrectionCanRun (307 ms) 45: [----------] 1 test from DispersionCorrectionTest (307 ms total) 45: 45: [----------] 1 test from OriresTest 45: [ RUN ] OriresTest.OriresCanRun 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/OriresTest_OriresCanRun_input.mdp]: 45: The Berendsen thermostat does not generate the correct kinetic energy 45: distribution. You might want to consider using the V-rescale thermostat. 45: 45: Setting the LD random seed to -1346965769 45: Generated 2145 of the 2145 non-bonded parameter combinations 45: Generating 1-4 interactions: fudge = 0.5 45: Generated 2145 of the 2145 1-4 parameter combinations 45: Excluding 3 bonded neighbours molecule type 'Protein_chain_A' 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Number of degrees of freedom in T-Coupling group System is 518.00 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/OriresTest_OriresCanRun_input.mdp]: 45: You are using a plain Coulomb cut-off, which might produce artifacts. 45: You might want to consider using PME electrostatics. 45: 45: 45: 45: There were 2 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/OriresTest_OriresCanRun.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: 45: Orientation restraints only supports a single rank. Choosing to use only a single thread-MPI rank. 45: Changing nstlist from 10 to 25, rlist from 1.059 to 1.178 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'GUANINE NUCLEOTIDE-BINDING PROTEIN G(T), ALPHA-1' 45: 10 steps, 0.0 ps. 45: turning H bonds into constraints... 45: turning H bonds into constraints... 45: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K 45: Calculated rlist for 1x1 atom pair-list as 1.073 nm, buffer size 0.073 nm 45: Set rlist, assuming 4x4 atom pair-list, to 1.054 nm, buffer size 0.054 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.020 0.010 196.9 45: (ns/day) (hour/ns) 45: Performance: 188.218 0.128 45: [ OK ] OriresTest.OriresCanRun (487 ms) 45: [----------] 1 test from OriresTest (487 ms total) 45: 45: [----------] 3 tests from PmeTest 45: [ RUN ] PmeTest.ReproducesEnergies 45: Setting the LD random seed to 1601952621 45: Generated 8 of the 10 non-bonded parameter combinations 45: Excluding 2 bonded neighbours molecule type 'Methanol' 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Number of degrees of freedom in T-Coupling group rest is 12.00 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_input.mdp]: 45: NVE simulation: will use the initial temperature of 1046.791 K for 45: determining the Verlet buffer size 45: 45: Estimate for the relative computational load of the PME mesh part: 1.00 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_input.mdp]: 45: The optimal PME mesh load for parallel simulations is below 0.5 45: and for highly parallel simulations between 0.25 and 0.33, 45: for higher performance, increase the cut-off and the PME grid spacing. 45: 45: 45: 45: There were 2 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc-and-methanol' 45: 20 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 45: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 45: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: Calculating fourier grid dimensions for X Y Z 45: Using a fourier grid of 28x28x28, spacing 0.107 0.107 0.107 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.029 0.015 199.0 45: (ns/day) (hour/ns) 45: Performance: 122.869 0.195 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeAuto.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 Reading energy frame 2 time 0.002 Reading energy frame 3 time 0.003 Reading energy frame 4 time 0.004 Reading energy frame 5 time 0.005 Reading energy frame 6 time 0.006 Reading energy frame 7 time 0.007 Reading energy frame 8 time 0.008 Reading energy frame 9 time 0.009 Reading energy frame 10 time 0.010 Reading energy frame 11 time 0.011 Reading energy frame 12 time 0.012 Reading energy frame 13 time 0.013 Reading energy frame 14 time 0.014 Reading energy frame 15 time 0.015 Reading energy frame 16 time 0.016 Reading energy frame 17 time 0.017 Reading energy frame 18 time 0.018 Reading energy frame 19 time 0.019 Reading energy frame 20 time 0.020 Last energy frame read 20 time 0.020 Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc-and-methanol' 45: 20 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.139 0.070 199.6 45: (ns/day) (hour/ns) 45: Performance: 26.003 0.923 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpu.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 Reading energy frame 2 time 0.002 Reading energy frame 3 time 0.003 Reading energy frame 4 time 0.004 Reading energy frame 5 time 0.005 Reading energy frame 6 time 0.006 Reading energy frame 7 time 0.007 Reading energy frame 8 time 0.008 Reading energy frame 9 time 0.009 Reading energy frame 10 time 0.010 Reading energy frame 11 time 0.011 Reading energy frame 12 time 0.012 Reading energy frame 13 time 0.013 Reading energy frame 14 time 0.014 Reading energy frame 15 time 0.015 Reading energy frame 16 time 0.016 Reading energy frame 17 time 0.017 Reading energy frame 18 time 0.018 Reading energy frame 19 time 0.019 Reading energy frame 20 time 0.020 Last energy frame read 20 time 0.020 Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc-and-methanol' 45: 20 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.168 0.084 199.7 45: (ns/day) (hour/ns) 45: Performance: 21.568 1.113 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpuTune.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 Reading energy frame 2 time 0.002 Reading energy frame 3 time 0.003 Reading energy frame 4 time 0.004 Reading energy frame 5 time 0.005 Reading energy frame 6 time 0.006 Reading energy frame 7 time 0.007 Reading energy frame 8 time 0.008 Reading energy frame 9 time 0.009 Reading energy frame 10 time 0.010 Reading energy frame 11 time 0.011 Reading energy frame 12 time 0.012 Reading energy frame 13 time 0.013 Reading energy frame 14 time 0.014 Reading energy frame 15 time 0.015 Reading energy frame 16 time 0.016 Reading energy frame 17 time 0.017 Reading energy frame 18 time 0.018 Reading energy frame 19 time 0.019 Reading energy frame 20 time 0.020 Last energy frame read 20 time 0.020 [ OK ] PmeTest.ReproducesEnergies (398 ms) 45: [ RUN ] PmeTest.ScalesTheBox 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to 2138390323 45: Generated 8 of the 10 non-bonded parameter combinations 45: Excluding 2 bonded neighbours molecule type 'Methanol' 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Number of degrees of freedom in T-Coupling group rest is 12.00 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]: 45: NVE simulation: will use the initial temperature of 1046.791 K for 45: determining the Verlet buffer size 45: 45: Estimate for the relative computational load of the PME mesh part: 1.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]: 45: The optimal PME mesh load for parallel simulations is below 0.5 45: and for highly parallel simulations between 0.25 and 0.33, 45: for higher performance, increase the cut-off and the PME grid spacing. 45: 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc-and-methanol' 45: 0 steps, 0.0 ps. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.002 0.001 187.5 45: (ns/day) (hour/ns) 45: Performance: 76.566 0.313 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_spc-and-methanol_PmeOnCpu.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 45: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 45: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: Calculating fourier grid dimensions for X Y Z 45: Using a fourier grid of 28x28x28, spacing 0.107 0.107 0.107 45: This run will generate roughly 0 Mb of data 45: [ OK ] PmeTest.ScalesTheBox (17 ms) 45: [ RUN ] PmeTest.ScalesTheBoxWithWalls 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to -470042659 45: Generated 8 of the 10 non-bonded parameter combinations 45: Excluding 2 bonded neighbours molecule type 'Methanol' 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Searching the wall atom type(s) 45: Number of degrees of freedom in T-Coupling group rest is 13.00 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]: 45: NVE simulation: will use the initial temperature of 966.268 K for 45: determining the Verlet buffer size 45: 45: Estimate for the relative computational load of the PME mesh part: 1.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]: 45: The optimal PME mesh load for parallel simulations is below 0.5 45: and for highly parallel simulations between 0.25 and 0.33, 45: for higher performance, increase the cut-off and the PME grid spacing. 45: 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc-and-methanol' 45: 0 steps, 0.0 ps. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.010 0.005 194.9 45: (ns/day) (hour/ns) 45: Performance: 16.738 1.434 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_spc-and-methanol_PmeOnCpu.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 966.268 K 45: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 45: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: Calculating fourier grid dimensions for X Y Z 45: Using a fourier grid of 28x28x128, spacing 0.107 0.107 0.118 45: This run will generate roughly 0 Mb of data 45: [ OK ] PmeTest.ScalesTheBoxWithWalls (873 ms) 45: [----------] 3 tests from PmeTest (1288 ms total) 45: 45: [----------] 1 test from CompelTest 45: [ RUN ] CompelTest.SwapCanRun 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun_input.mdp]: 45: The Berendsen thermostat does not generate the correct kinetic energy 45: distribution. You might want to consider using the V-rescale thermostat. 45: 45: Setting the LD random seed to -4786586 45: Generated 330891 of the 330891 non-bonded parameter combinations 45: Generating 1-4 interactions: fudge = 0.5 45: Generated 330891 of the 330891 1-4 parameter combinations 45: Excluding 3 bonded neighbours molecule type 'Protein' 45: Excluding 3 bonded neighbours molecule type 'OCT' 45: Excluding 1 bonded neighbours molecule type 'NA' 45: Excluding 1 bonded neighbours molecule type 'CL' 45: Excluding 3 bonded neighbours molecule type 'Protein' 45: Excluding 3 bonded neighbours molecule type 'OCT' 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Split0 group 'Ch0' contains 83 atoms. 45: Split1 group 'Ch1' contains 83 atoms. 45: Solvent group 'SOL' contains 11931 atoms. 45: Swap group 'NA+' contains 19 atoms. 45: Swap group 'CL-' contains 19 atoms. 45: Number of degrees of freedom in T-Coupling group System is 27869.00 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun_input.mdp]: 45: Removing center of mass motion in the presence of position restraints 45: might cause artifacts. When you are using position restraints to 45: equilibrate a macro-molecule, the artifacts are usually negligible. 45: 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun_input.mdp]: 45: You are using a plain Coulomb cut-off, which might produce artifacts. 45: You might want to consider using PME electrostatics. 45: 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: SWAP: Determining initial numbers of ions per compartment. 45: SWAP: Setting pointers for checkpoint writing 45: SWAP: Channel 0 flux history for ion type NA+ (charge 1): 0 molecules 45: SWAP: Channel 1 flux history for ion type NA+ (charge 1): 0 molecules 45: SWAP: Channel 0 flux history for ion type CL- (charge -1): 0 molecules 45: SWAP: Channel 1 flux history for ion type CL- (charge -1): 0 molecules 45: starting mdrun 'Channel_coco in octane membrane' 45: 2 steps, 0.0 ps. 45: turning all bonds into constraints... 45: turning all bonds into constraints... 45: turning all bonds into constraints... 45: turning all bonds into constraints... 45: turning all bonds into constraints... 45: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K 45: Calculated rlist for 1x1 atom pair-list as 1.314 nm, buffer size 0.314 nm 45: Set rlist, assuming 4x4 atom pair-list, to 1.260 nm, buffer size 0.260 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 1 Mb of data 45: 45: Writing final coordinates. 45: 45: NOTE: 32 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 1.103 0.551 200.0 45: (ns/day) (hour/ns) 45: Performance: 2.351 10.210 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/CompelTest_SwapCanRun.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Overriding nsteps with value passed on the command line: 2 steps, 0.01 ps 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: SWAP: Setting pointers for checkpoint writing 45: SWAP: Copying channel fluxes from checkpoint file data 45: SWAP: Channel 0 flux history for ion type NA+ (charge 1): 0 molecules 45: SWAP: Channel 1 flux history for ion type NA+ (charge 1): 0 molecules 45: SWAP: Channel 0 flux history for ion type CL- (charge -1): 0 molecules 45: SWAP: Channel 1 flux history for ion type CL- (charge -1): 0 molecules 45: starting mdrun 'Channel_coco in octane membrane' 45: 4 steps, 0.0 ps (continuing from step 2, 0.0 ps). 45: 45: Writing final coordinates. 45: 45: NOTE: 13 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 1.345 0.774 173.8 45: (ns/day) (hour/ns) 45: Performance: 1.675 14.330 45: [ OK ] CompelTest.SwapCanRun (2403 ms) 45: [----------] 1 test from CompelTest (2403 ms total) 45: 45: [----------] 6 tests from BondedInteractionsTest 45: [ RUN ] BondedInteractionsTest.NormalBondWorks 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalBondWorks_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to -6306380 45: Generated 3 of the 3 non-bonded parameter combinations 45: Excluding 3 bonded neighbours molecule type 'butane' 45: 45: NOTE 2 [file BondedInteractionsTest_NormalBondWorks_butane1.top, line 31]: 45: In moleculetype 'butane' 2 atoms are not bound by a potential or 45: constraint to any other atom in the same moleculetype. Although 45: technically this might not cause issues in a simulation, this often means 45: that the user forgot to add a bond/potential/constraint or put multiple 45: molecules in the same moleculetype definition by mistake. Run with -v to 45: get information for each atom. 45: 45: Number of degrees of freedom in T-Coupling group rest is 9.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalBondWorks_input.mdp]: 45: NVE simulation with an initial temperature of zero: will use a Verlet 45: buffer of 10%. Check your energy drift! 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalBondWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting md rerun 'A single butane', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/butane1.gro' 45: 45: Reading frames from gro file 'A single butane', 4 atoms. 45: Reading frame 0 time 0.000 Last frame 0 time 0.000 45: 45: NOTE: 17 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.001 0.000 187.4 45: (ns/day) (hour/ns) 45: Performance: 228.780 0.105 45: This run will generate roughly 0 Mb of data 45: [ OK ] BondedInteractionsTest.NormalBondWorks (24 ms) 45: [ RUN ] BondedInteractionsTest.TabulatedBondWorks 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to 2101844935 45: Generated 3 of the 3 non-bonded parameter combinations 45: Excluding 3 bonded neighbours molecule type 'butane' 45: 45: NOTE 2 [file BondedInteractionsTest_TabulatedBondWorks_butane1.top, line 31]: 45: In moleculetype 'butane' 2 atoms are not bound by a potential or 45: constraint to any other atom in the same moleculetype. Although 45: technically this might not cause issues in a simulation, this often means 45: that the user forgot to add a bond/potential/constraint or put multiple 45: molecules in the same moleculetype definition by mistake. Run with -v to 45: get information for each atom. 45: 45: Number of degrees of freedom in T-Coupling group rest is 9.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks_input.mdp]: 45: NVE simulation with an initial temperature of zero: will use a Verlet 45: buffer of 10%. Check your energy drift! 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedBondWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting md rerun 'A single butane', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/butane1.gro' 45: 45: Reading frames from gro file 'A single butane', 4 atoms. 45: Reading frame 0 time 0.000 Last frame 0 time 0.000 45: 45: NOTE: 15 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.001 0.000 185.9 45: (ns/day) (hour/ns) 45: Performance: 221.780 0.108 45: This run will generate roughly 0 Mb of data 45: [ OK ] BondedInteractionsTest.TabulatedBondWorks (18 ms) 45: [ RUN ] BondedInteractionsTest.NormalAngleWorks 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to -545269829 45: Generated 3 of the 3 non-bonded parameter combinations 45: Excluding 3 bonded neighbours molecule type 'butane' 45: 45: NOTE 2 [file BondedInteractionsTest_NormalAngleWorks_butane1.top, line 31]: 45: In moleculetype 'butane' 4 atoms are not bound by a potential or 45: constraint to any other atom in the same moleculetype. Although 45: technically this might not cause issues in a simulation, this often means 45: that the user forgot to add a bond/potential/constraint or put multiple 45: molecules in the same moleculetype definition by mistake. Run with -v to 45: get information for each atom. 45: 45: Number of degrees of freedom in T-Coupling group rest is 9.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks_input.mdp]: 45: NVE simulation with an initial temperature of zero: will use a Verlet 45: buffer of 10%. Check your energy drift! 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalAngleWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting md rerun 'A single butane', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/butane1.gro' 45: 45: Reading frames from gro file 'A single butane', 4 atoms. 45: Reading frame 0 time 0.000 Last frame 0 time 0.000 45: 45: NOTE: 18 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.001 0.000 187.5 45: (ns/day) (hour/ns) 45: Performance: 291.075 0.082 45: This run will generate roughly 0 Mb of data 45: [ OK ] BondedInteractionsTest.NormalAngleWorks (7 ms) 45: [ RUN ] BondedInteractionsTest.TabulatedAngleWorks 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedAngleWorks_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to -1075844421 45: Generated 3 of the 3 non-bonded parameter combinations 45: Excluding 3 bonded neighbours molecule type 'butane' 45: 45: NOTE 2 [file BondedInteractionsTest_TabulatedAngleWorks_butane1.top, line 31]: 45: In moleculetype 'butane' 4 atoms are not bound by a potential or 45: constraint to any other atom in the same moleculetype. Although 45: technically this might not cause issues in a simulation, this often means 45: that the user forgot to add a bond/potential/constraint or put multiple 45: molecules in the same moleculetype definition by mistake. Run with -v to 45: get information for each atom. 45: 45: Number of degrees of freedom in T-Coupling group rest is 9.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedAngleWorks_input.mdp]: 45: NVE simulation with an initial temperature of zero: will use a Verlet 45: buffer of 10%. Check your energy drift! 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedAngleWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting md rerun 'A single butane', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/butane1.gro' 45: 45: Reading frames from gro file 'A single butane', 4 atoms. 45: Reading frame 0 time 0.000 Last frame 0 time 0.000 45: 45: NOTE: 18 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.001 0.000 187.9 45: (ns/day) (hour/ns) 45: Performance: 273.707 0.088 45: This run will generate roughly 0 Mb of data 45: [ OK ] BondedInteractionsTest.TabulatedAngleWorks (6 ms) 45: [ RUN ] BondedInteractionsTest.NormalDihedralWorks 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalDihedralWorks_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to 1946091382 45: Generated 3 of the 3 non-bonded parameter combinations 45: Excluding 3 bonded neighbours molecule type 'butane' 45: 45: NOTE 2 [file BondedInteractionsTest_NormalDihedralWorks_butane1.top, line 31]: 45: In moleculetype 'butane' 4 atoms are not bound by a potential or 45: constraint to any other atom in the same moleculetype. Although 45: technically this might not cause issues in a simulation, this often means 45: that the user forgot to add a bond/potential/constraint or put multiple 45: molecules in the same moleculetype definition by mistake. Run with -v to 45: get information for each atom. 45: 45: Number of degrees of freedom in T-Coupling group rest is 9.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalDihedralWorks_input.mdp]: 45: NVE simulation with an initial temperature of zero: will use a Verlet 45: buffer of 10%. Check your energy drift! 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_NormalDihedralWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting md rerun 'A single butane', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/butane1.gro' 45: 45: Reading frames from gro file 'A single butane', 4 atoms. 45: Reading frame 0 time 0.000 Last frame 0 time 0.000 45: 45: NOTE: 16 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.001 0.000 184.4 45: (ns/day) (hour/ns) 45: Performance: 284.896 0.084 45: This run will generate roughly 0 Mb of data 45: [ OK ] BondedInteractionsTest.NormalDihedralWorks (7 ms) 45: [ RUN ] BondedInteractionsTest.TabulatedDihedralWorks 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks_input.mdp]: 45: For a correct single-point energy evaluation with nsteps = 0, use 45: continuation = yes to avoid constraining the input coordinates. 45: 45: Setting the LD random seed to -75628691 45: Generated 3 of the 3 non-bonded parameter combinations 45: Excluding 3 bonded neighbours molecule type 'butane' 45: 45: NOTE 2 [file BondedInteractionsTest_TabulatedDihedralWorks_butane1.top, line 31]: 45: In moleculetype 'butane' 4 atoms are not bound by a potential or 45: constraint to any other atom in the same moleculetype. Although 45: technically this might not cause issues in a simulation, this often means 45: that the user forgot to add a bond/potential/constraint or put multiple 45: molecules in the same moleculetype definition by mistake. Run with -v to 45: get information for each atom. 45: 45: Number of degrees of freedom in T-Coupling group rest is 9.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks_input.mdp]: 45: NVE simulation with an initial temperature of zero: will use a Verlet 45: buffer of 10%. Check your energy drift! 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BondedInteractionsTest_TabulatedDihedralWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting md rerun 'A single butane', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/butane1.gro' 45: 45: Reading frames from gro file 'A single butane', 4 atoms. 45: Reading frame 0 time 0.000 Last frame 0 time 0.000 45: 45: NOTE: 15 % of the run time was spent in pair search, 45: you might want to increase nstlist (this has no effect on accuracy) 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.001 0.000 186.9 45: (ns/day) (hour/ns) 45: Performance: 198.134 0.121 45: This run will generate roughly 0 Mb of data 45: [ OK ] BondedInteractionsTest.TabulatedDihedralWorks (9 ms) 45: [----------] 6 tests from BondedInteractionsTest (72 ms total) 45: 45: [----------] 4 tests from SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest 45: [ RUN ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/0 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_0_input.mdp]: 45: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 45: that with the Verlet scheme, nstlist has no effect on the accuracy of 45: your simulation. 45: 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_0_input.mdp]: 45: Setting nstcalcenergy (100) equal to nstenergy (4) 45: 45: Generated 1 of the 1 non-bonded parameter combinations 45: Excluding 1 bonded neighbours molecule type 'Argon' 45: Number of degrees of freedom in T-Coupling group System is 33.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_0_input.mdp]: 45: NVE simulation: will use the initial temperature of 68.810 K for 45: determining the Verlet buffer size 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Argon' 45: 16 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 45: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 45: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.048 0.024 199.4 45: (ns/day) (hour/ns) 45: Performance: 60.961 0.394 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Argon' 45: 16 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.009 0.004 196.4 45: (ns/day) (hour/ns) 45: Performance: 331.929 0.072 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 trr version: GMX_trn_file (double precision) 45: 45: 45: [ OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/0 (44 ms) 45: [ RUN ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/1 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_1_input.mdp]: 45: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 45: that with the Verlet scheme, nstlist has no effect on the accuracy of 45: your simulation. 45: 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_1_input.mdp]: 45: Setting nstcalcenergy (100) equal to nstenergy (4) 45: 45: Generated 1 of the 1 non-bonded parameter combinations 45: Excluding 1 bonded neighbours molecule type 'Argon' 45: Number of degrees of freedom in T-Coupling group System is 33.00 45: 45: There were 2 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Argon' 45: 16 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 45: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 45: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.009 0.005 198.1 45: (ns/day) (hour/ns) 45: Performance: 320.480 0.075 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Argon' 45: 16 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.007 0.004 196.0 45: (ns/day) (hour/ns) 45: Performance: 410.351 0.058 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_1_sim2.edr as double precision energy file 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_1_sim1.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 45: 45: [ OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/1 (23 ms) 45: [ RUN ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/2 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_input.mdp]: 45: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 45: that with the Verlet scheme, nstlist has no effect on the accuracy of 45: your simulation. 45: 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_input.mdp]: 45: Setting nstcalcenergy (100) equal to nstenergy (4) 45: 45: Generated 330891 of the 330891 non-bonded parameter combinations 45: Generating 1-4 interactions: fudge = 0.5 45: Generated 330891 of the 330891 1-4 parameter combinations 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Number of degrees of freedom in T-Coupling group System is 27.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_input.mdp]: 45: NVE simulation: will use the initial temperature of 398.997 K for 45: determining the Verlet buffer size 45: 45: 45: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_input.mdp]: 45: You are using a plain Coulomb cut-off, which might produce artifacts. 45: You might want to consider using PME electrostatics. 45: 45: 45: 45: There were 4 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc2' 45: 16 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 45: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 45: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.010 0.005 199.0 45: (ns/day) (hour/ns) 45: Performance: 301.694 0.080 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc2' 45: 16 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.007 0.004 197.5 45: (ns/day) (hour/ns) 45: Performance: 419.231 0.057 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_sim2.edr as double precision energy file 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_2_sim1.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 45: 45: [ OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/2 (1017 ms) 45: [ RUN ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/3 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_3_input.mdp]: 45: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 45: that with the Verlet scheme, nstlist has no effect on the accuracy of 45: your simulation. 45: 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_3_input.mdp]: 45: Setting nstcalcenergy (100) equal to nstenergy (4) 45: 45: Generated 330891 of the 330891 non-bonded parameter combinations 45: Generating 1-4 interactions: fudge = 0.5 45: Generated 330891 of the 330891 1-4 parameter combinations 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Number of degrees of freedom in T-Coupling group System is 27.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_3_input.mdp]: 45: You are using a plain Coulomb cut-off, which might produce artifacts. 45: You might want to consider using PME electrostatics. 45: 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc2' 45: 16 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 45: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 45: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.045 0.023 199.6 45: (ns/day) (hour/ns) 45: Performance: 64.742 0.371 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc2' 45: 16 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.008 0.004 196.4 45: (ns/day) (hour/ns) 45: Performance: 356.681 0.067 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_3_sim2.edr as double precision energy file 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultModular_SimulatorComparisonTest_WithinTolerances_3_sim1.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 45: 45: [ OK ] SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest.WithinTolerances/3 (674 ms) 45: [----------] 4 tests from SimulatorsAreEquivalentDefaultModular/SimulatorComparisonTest (1758 ms total) 45: 45: [----------] 8 tests from SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest 45: [ RUN ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/0 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_0_input.mdp]: 45: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 45: that with the Verlet scheme, nstlist has no effect on the accuracy of 45: your simulation. 45: 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_0_input.mdp]: 45: Setting nstcalcenergy (100) equal to nstenergy (4) 45: 45: Generated 1 of the 1 non-bonded parameter combinations 45: Excluding 1 bonded neighbours molecule type 'Argon' 45: Number of degrees of freedom in T-Coupling group System is 33.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_0_input.mdp]: 45: NVE simulation: will use the initial temperature of 68.810 K for 45: determining the Verlet buffer size 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Argon' 45: 16 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 45: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 45: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.008 0.004 197.5 45: (ns/day) (hour/ns) 45: Performance: 344.360 0.070 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Argon' 45: 16 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.008 0.004 198.1 45: (ns/day) (hour/ns) 45: Performance: 357.281 0.067 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_0_sim2.edr as double precision energy file 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_0_sim1.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 45: 45: [ OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/0 (21 ms) 45: [ RUN ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/1 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_input.mdp]: 45: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 45: that with the Verlet scheme, nstlist has no effect on the accuracy of 45: your simulation. 45: 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_input.mdp]: 45: Setting nstcalcenergy (100) equal to nstenergy (4) 45: 45: Generated 1 of the 1 non-bonded parameter combinations 45: Excluding 1 bonded neighbours molecule type 'Argon' 45: Number of degrees of freedom in T-Coupling group System is 33.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_input.mdp]: 45: NVE simulation: will use the initial temperature of 68.810 K for 45: determining the Verlet buffer size 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Argon' 45: 16 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 45: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 45: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.008 0.004 197.2 45: (ns/day) (hour/ns) 45: Performance: 350.591 0.068 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Argon' 45: 16 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.208 0.104 199.9 45: (ns/day) (hour/ns) 45: Performance: 14.101 1.702 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_sim2.edr as double precision energy file 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_1_sim1.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 45: 45: [ OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/1 (152 ms) 45: [ RUN ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/2 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_2_input.mdp]: 45: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 45: that with the Verlet scheme, nstlist has no effect on the accuracy of 45: your simulation. 45: 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_2_input.mdp]: 45: Setting nstcalcenergy (100) equal to nstenergy (4) 45: 45: Generated 1 of the 1 non-bonded parameter combinations 45: Excluding 1 bonded neighbours molecule type 'Argon' 45: Number of degrees of freedom in T-Coupling group System is 33.00 45: 45: There were 2 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Argon' 45: 16 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 45: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 45: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.098 0.049 199.7 45: (ns/day) (hour/ns) 45: Performance: 29.962 0.801 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Argon' 45: 16 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.007 0.004 198.7 45: (ns/day) (hour/ns) 45: Performance: 406.398 0.059 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_2_sim2.edr as double precision energy file 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_2_sim1.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 45: 45: [ OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/2 (63 ms) 45: [ RUN ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/3 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_3_input.mdp]: 45: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 45: that with the Verlet scheme, nstlist has no effect on the accuracy of 45: your simulation. 45: 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_3_input.mdp]: 45: Setting nstcalcenergy (100) equal to nstenergy (4) 45: 45: Generated 1 of the 1 non-bonded parameter combinations 45: Excluding 1 bonded neighbours molecule type 'Argon' 45: Number of degrees of freedom in T-Coupling group System is 33.00 45: 45: There were 2 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Argon' 45: 16 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 45: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 45: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.006 0.003 196.1 45: (ns/day) (hour/ns) 45: Performance: 486.734 0.049 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'Argon' 45: 16 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.006 0.003 198.5 45: (ns/day) (hour/ns) 45: Performance: 465.231 0.052 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_3_sim2.edr as double precision energy file 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_3_sim1.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 45: 45: [ OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/3 (17 ms) 45: [ RUN ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/4 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_input.mdp]: 45: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 45: that with the Verlet scheme, nstlist has no effect on the accuracy of 45: your simulation. 45: 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_input.mdp]: 45: Setting nstcalcenergy (100) equal to nstenergy (4) 45: 45: Generated 330891 of the 330891 non-bonded parameter combinations 45: Generating 1-4 interactions: fudge = 0.5 45: Generated 330891 of the 330891 1-4 parameter combinations 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Number of degrees of freedom in T-Coupling group System is 27.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_input.mdp]: 45: NVE simulation: will use the initial temperature of 398.997 K for 45: determining the Verlet buffer size 45: 45: 45: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_input.mdp]: 45: You are using a plain Coulomb cut-off, which might produce artifacts. 45: You might want to consider using PME electrostatics. 45: 45: 45: 45: There were 4 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc2' 45: 16 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 45: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 45: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.015 0.007 198.3 45: (ns/day) (hour/ns) 45: Performance: 196.354 0.122 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc2' 45: 16 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.007 0.003 198.1 45: (ns/day) (hour/ns) 45: Performance: 427.403 0.056 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_sim2.edr as double precision energy file 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_4_sim1.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 45: 45: [ OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/4 (541 ms) 45: [ RUN ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/5 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_input.mdp]: 45: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 45: that with the Verlet scheme, nstlist has no effect on the accuracy of 45: your simulation. 45: 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_input.mdp]: 45: Setting nstcalcenergy (100) equal to nstenergy (4) 45: 45: Generated 330891 of the 330891 non-bonded parameter combinations 45: Generating 1-4 interactions: fudge = 0.5 45: Generated 330891 of the 330891 1-4 parameter combinations 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Number of degrees of freedom in T-Coupling group System is 27.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_input.mdp]: 45: NVE simulation: will use the initial temperature of 398.997 K for 45: determining the Verlet buffer size 45: 45: 45: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_input.mdp]: 45: You are using a plain Coulomb cut-off, which might produce artifacts. 45: You might want to consider using PME electrostatics. 45: 45: 45: 45: There were 4 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc2' 45: 16 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 45: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 45: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.071 0.035 199.5 45: (ns/day) (hour/ns) 45: Performance: 41.503 0.578 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Can not increase nstlist because an NVE ensemble is used 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc2' 45: 16 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.007 0.004 198.3 45: (ns/day) (hour/ns) 45: Performance: 415.050 0.058 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_sim2.edr as double precision energy file 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_5_sim1.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 45: 45: [ OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/5 (588 ms) 45: [ RUN ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/6 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_input.mdp]: 45: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 45: that with the Verlet scheme, nstlist has no effect on the accuracy of 45: your simulation. 45: 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_input.mdp]: 45: Setting nstcalcenergy (100) equal to nstenergy (4) 45: 45: Generated 330891 of the 330891 non-bonded parameter combinations 45: Generating 1-4 interactions: fudge = 0.5 45: Generated 330891 of the 330891 1-4 parameter combinations 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Number of degrees of freedom in T-Coupling group System is 27.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_input.mdp]: 45: You are using a plain Coulomb cut-off, which might produce artifacts. 45: You might want to consider using PME electrostatics. 45: 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc2' 45: 16 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 45: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 45: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.055 0.028 198.9 45: (ns/day) (hour/ns) 45: Performance: 52.855 0.454 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc2' 45: 16 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.011 0.005 198.5 45: (ns/day) (hour/ns) 45: Performance: 277.467 0.086 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_sim2.edr as double precision energy file 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_6_sim1.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 45: 45: [ OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/6 (598 ms) 45: [ RUN ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/7 45: 45: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_input.mdp]: 45: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 45: that with the Verlet scheme, nstlist has no effect on the accuracy of 45: your simulation. 45: 45: 45: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_input.mdp]: 45: Setting nstcalcenergy (100) equal to nstenergy (4) 45: 45: Generated 330891 of the 330891 non-bonded parameter combinations 45: Generating 1-4 interactions: fudge = 0.5 45: Generated 330891 of the 330891 1-4 parameter combinations 45: Excluding 2 bonded neighbours molecule type 'SOL' 45: Number of degrees of freedom in T-Coupling group System is 27.00 45: 45: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_input.mdp]: 45: You are using a plain Coulomb cut-off, which might produce artifacts. 45: You might want to consider using PME electrostatics. 45: 45: 45: 45: There were 3 notes 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc2' 45: 16 steps, 0.0 ps. 45: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 45: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 45: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 45: Note that mdrun will redetermine rlist based on the actual pair-list setup 45: This run will generate roughly 0 Mb of data 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 1.964 0.982 200.0 45: (ns/day) (hour/ns) 45: Performance: 1.496 16.048 45: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 45: log). 45: The current CPU can measure timings more accurately than the code in 45: mdrun-test was configured to use. This might affect your simulation 45: speed as accurate timings are needed for load-balancing. 45: Please consider rebuilding mdrun-test with the GMX_USE_RDTSCP=ON CMake option. 45: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 45: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 45: 45: 45: Using 1 MPI thread 45: 45: Non-default thread affinity set, disabling internal thread affinity 45: 45: Using 2 OpenMP threads 45: 45: starting mdrun 'spc2' 45: 16 steps, 0.0 ps. 45: 45: Writing final coordinates. 45: 45: Core t (s) Wall t (s) (%) 45: Time: 0.013 0.007 198.6 45: (ns/day) (hour/ns) 45: Performance: 219.168 0.110 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_sim2.edr as double precision energy file 45: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/SimulatorsAreEquivalentDefaultLegacy_SimulatorComparisonTest_WithinTolerances_7_sim1.edr as double precision energy file 45: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 45: 45: [ OK ] SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest.WithinTolerances/7 (1529 ms) 45: [----------] 8 tests from SimulatorsAreEquivalentDefaultLegacy/SimulatorComparisonTest (3509 ms total) 45: 45: [----------] Global test environment tear-down 45: [==========] 24 tests from 7 test cases ran. (9824 ms total) 45: [ PASSED ] 24 tests. 45/54 Test #45: MdrunTests .......................... Passed 9.90 sec test 46 Start 46: MdrunNonIntegratorTests 46: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/mdrun-non-integrator-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MdrunNonIntegratorTests.xml" 46: Test timeout computed to be: 600 46: [==========] Running 65 tests from 7 test cases. 46: [----------] Global test environment set-up. 46: [----------] 1 test from NonbondedBenchTest 46: [ RUN ] NonbondedBenchTest.BasicEndToEndTest 46: SIMD width: 2 46: System size: 3000 atoms 46: Cut-off radius: 1 nm 46: Number of threads: 1 46: Number of iterations: 1 46: Compute energies: no 46: Ewald excl. corr.: analytical 46: 46: Coulomb LJ comb. SIMD Mcycles Mcycles/it. pairs/cycle 46: total useful 46: Ewald all geom. 4xM 132.116 132.1158 0.0080 0.0048 46: [ OK ] NonbondedBenchTest.BasicEndToEndTest (92 ms) 46: [----------] 1 test from NonbondedBenchTest (92 ms total) 46: 46: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest 46: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Steepest Descents: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Steepest Descents did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = -4.79910463671045e+01 46: Maximum force = 1.86297359432218e+02 on atom 13 46: Norm of force = 8.77219865482098e+01 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Reading energy frame 3 time 3.000 Reading energy frame 4 time 4.000 Last energy frame read 4 time 4.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (637 ms) 46: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Polak-Ribiere Conjugate Gradients: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: F-max = 3.02331e+02 on atom 3 46: F-Norm = 1.18024e+02 46: 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = -5.58622538633253e+01 46: Maximum force = 4.27274822366642e+02 on atom 13 46: Norm of force = 1.84530029253881e+02 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (691 ms) 46: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 20503 of the 20503 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 1 46: Generated 17396 of the 20503 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Glycine' 46: Number of degrees of freedom in T-Coupling group System is 22.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Steepest Descents: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Steepest Descents did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = 3.19376899751521e+02 46: Maximum force = 9.99884921009767e+03 on atom 9 46: Norm of force = 4.61669565054298e+03 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Reading energy frame 3 time 3.000 Reading energy frame 4 time 4.000 Last energy frame read 4 time 4.000 turning H bonds into constraints... 46: This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (174 ms) 46: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 20503 of the 20503 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 1 46: Generated 17396 of the 20503 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Glycine' 46: 46: NOTE 3 [file glycine_vacuo.top, line 12]: 46: For accurate cg with LINCS constraints, lincs-order should be 8 or more. 46: 46: Number of degrees of freedom in T-Coupling group System is 22.00 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Polak-Ribiere Conjugate Gradients: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: F-max = 2.41575e+04 on atom 10 46: F-Norm = 1.18451e+04 46: 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = 1.51743018140930e+02 46: Maximum force = 7.42089573409109e+03 on atom 9 46: Norm of force = 3.56929298615740e+03 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 turning H bonds into constraints... 46: This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (163 ms) 46: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 2145 of the 2145 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2145 of the 2145 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 46: 46: NOTE 3 [file unknown]: 46: You are using constraints on all bonds, whereas the forcefield has been 46: parametrized only with constraints involving hydrogen atoms. We suggest 46: using constraints = h-bonds instead, this will also improve performance. 46: 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Removed 18 Angles with virtual sites, 21 left 46: Removed 10 Proper Dih.s with virtual sites, 44 left 46: Converted 15 Constraints with virtual sites to connections, 7 left 46: Number of degrees of freedom in T-Coupling group System is 23.00 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Steepest Descents: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Steepest Descents did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = -1.56984193848274e+02 46: Maximum force = 4.56923624626205e+02 on atom 17 46: Norm of force = 1.83258377168315e+02 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 3.000 Last energy frame read 2 time 3.000 turning all bonds into constraints... 46: This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (50 ms) 46: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 2145 of the 2145 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2145 of the 2145 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 46: 46: NOTE 3 [file unknown]: 46: You are using constraints on all bonds, whereas the forcefield has been 46: parametrized only with constraints involving hydrogen atoms. We suggest 46: using constraints = h-bonds instead, this will also improve performance. 46: 46: 46: NOTE 4 [file unknown]: 46: For accurate cg with LINCS constraints, lincs-order should be 8 or more. 46: 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Removed 18 Angles with virtual sites, 21 left 46: Removed 10 Proper Dih.s with virtual sites, 44 left 46: Converted 15 Constraints with virtual sites to connections, 7 left 46: Number of degrees of freedom in T-Coupling group System is 23.00 46: 46: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 5 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Polak-Ribiere Conjugate Gradients: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: F-max = 1.06800e+03 on atom 28 46: F-Norm = 4.26922e+02 46: 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = -1.69410778678182e+02 46: Maximum force = 2.18225948474131e+02 on atom 17 46: Norm of force = 7.92068036537818e+01 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 turning all bonds into constraints... 46: This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (29 ms) 46: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (1744 ms total) 46: 46: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest 46: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: There were 2 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Steepest Descents: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: 46: writing lowest energy coordinates. 46: 46: Steepest Descents converged to Fmax < 10 in 1 steps 46: Potential Energy = -9.74257075835447e-01 46: Maximum force = 4.01322929015133e+00 on atom 1 46: Norm of force = 1.63839399694378e+00 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (7 ms) 46: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: There were 2 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Polak-Ribiere Conjugate Gradients: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: F-max = 4.01323e+00 on atom 1 46: F-Norm = 1.63839e+00 46: 46: 46: writing lowest energy coordinates. 46: 46: Polak-Ribiere Conjugate Gradients converged to Fmax < 10 in 0 steps 46: Potential Energy = -9.90642313893957e-01 46: Maximum force = 2.57812909491105e+00 on atom 1 46: Norm of force = 1.05251679559258e+00 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Last energy frame read 1 time 0.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (7 ms) 46: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: 46: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 46: For efficient BFGS minimization, use switch/shift/pme instead of cut-off. 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: There were 2 notes 46: 46: There was 1 warning 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: L-BFGS minimization only supports a single rank. Choosing to use only a single thread-MPI rank. 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Low-Memory BFGS Minimizer: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: Using 10 BFGS correction steps. 46: 46: F-max = 4.01323e+00 on atom 1 46: F-Norm = 1.63839e+00 46: 46: 46: writing lowest energy coordinates. 46: 46: Low-Memory BFGS Minimizer converged to Fmax < 10 in 0 steps 46: Potential Energy = -9.90642313893957e-01 46: Maximum force = 2.57812909491105e+00 on atom 1 46: Norm of force = 1.05251679559258e+00 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Last energy frame read 1 time 0.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (14 ms) 46: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 20503 of the 20503 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 1 46: Generated 17396 of the 20503 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Glycine' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Steepest Descents: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Steepest Descents did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = 3.19395484891520e+02 46: Maximum force = 9.97041707197911e+03 on atom 9 46: Norm of force = 4.62274878665467e+03 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Reading energy frame 3 time 3.000 Reading energy frame 4 time 4.000 Last energy frame read 4 time 4.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (207 ms) 46: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 20503 of the 20503 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 1 46: Generated 17396 of the 20503 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Glycine' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Polak-Ribiere Conjugate Gradients: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: F-max = 2.41672e+04 on atom 10 46: F-Norm = 1.19357e+04 46: 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = 1.56258793899481e+02 46: Maximum force = 7.50181017480396e+03 on atom 9 46: Norm of force = 3.61390332564874e+03 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (152 ms) 46: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: 46: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: For efficient BFGS minimization, use switch/shift/pme instead of cut-off. 46: 46: Generated 20503 of the 20503 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 1 46: Generated 17396 of the 20503 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Glycine' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: 46: There was 1 warning 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: L-BFGS minimization only supports a single rank. Choosing to use only a single thread-MPI rank. 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: 46: Low-Memory BFGS Minimizer: 46: Tolerance (Fmax) = 1.00000e+01 46: Number of steps = 4 46: Using 10 BFGS correction steps. 46: 46: F-max = 2.41672e+04 on atom 10 46: F-Norm = 1.19357e+04 46: 46: 46: Energy minimization reached the maximum number of steps before the forces 46: reached the requested precision Fmax < 10. 46: 46: writing lowest energy coordinates. 46: 46: Low-Memory BFGS Minimizer did not converge to Fmax < 10 in 5 steps. 46: Potential Energy = 5.61116097794205e+02 46: Maximum force = 1.26854826291223e+04 on atom 10 46: Norm of force = 6.06436286976271e+03 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 This run will generate roughly 0 Mb of data 46: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (168 ms) 46: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (555 ms total) 46: 46: [----------] 5 tests from NormalModesWorks/NormalModesTest 46: [ RUN ] NormalModesWorks/NormalModesTest.WithinTolerances/0 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_0_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_0_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 3 of the 3 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 3 of the 3 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 15.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_0_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: Small system size (N=6), using full Hessian format. 46: Allocating Hessian memory... 46: 46: starting normal mode calculation '2 scaled waters' 46: 12 steps. 46: 46: Maximum force: 9.96989e-06 46: 46: 46: Writing Hessian... 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Reading double precision matrix generated by GROMACS 2020.6-Debian-2020.6-2 46: 46: Diagonalizing to find vectors 7 through 18... 46: Writing eigenvalues... 46: 46: Writing average structure & eigenvectors 7--18 to eigenvec.trr 46: This run will generate roughly 0 Mb of data 46: There are: 6 Atoms 46: Using begin = 7 and end = 18 46: Full matrix storage format, nrow=18, ncols=18 46: Writing eigenfrequencies - negative eigenvalues will be set to zero. 46: Cannot compute entropy when -first = 7 46: [ OK ] NormalModesWorks/NormalModesTest.WithinTolerances/0 (62 ms) 46: [ RUN ] NormalModesWorks/NormalModesTest.WithinTolerances/1 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_1_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_1_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 20503 of the 20503 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 1 46: Generated 17396 of the 20503 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Protein_chain_A' 46: 46: NOTE 3 [file villin.top, line 2452]: 46: System has non-zero total charge: -2.000000 46: Total charge should normally be an integer. See 46: http://www.gromacs.org/Documentation/Floating_Point_Arithmetic 46: for discussion on how close it should be to an integer. 46: 46: 46: 46: Number of degrees of freedom in T-Coupling group System is 765.00 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_1_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: Small system size (N=256), using full Hessian format. 46: Allocating Hessian memory... 46: 46: starting normal mode calculation 'AMYLOID BETA A4 PROTEIN' 46: 512 steps. 46: 46: Maximum force: 6.97568e-04 46: 46: 46: Writing Hessian... 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Reading double precision matrix generated by GROMACS 2020.6-Debian-2020.6-2 46: 46: Diagonalizing to find vectors 7 through 50... 46: Writing eigenvalues... 46: 46: Writing average structure & eigenvectors 7--50 to eigenvec.trr 46: This run will generate roughly 0 Mb of data 46: There are: 256 Atoms 46: Using begin = 7 and end = 50 46: Full matrix storage format, nrow=768, ncols=768 46: Writing eigenfrequencies - negative eigenvalues will be set to zero. 46: Cannot compute entropy when -first = 7 46: [ OK ] NormalModesWorks/NormalModesTest.WithinTolerances/1 (4769 ms) 46: [ RUN ] NormalModesWorks/NormalModesTest.WithinTolerances/2 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_2_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_2_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 15.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_2_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: Small system size (N=6), using full Hessian format. 46: Allocating Hessian memory... 46: 46: starting normal mode calculation 'flex spc dimer' 46: 12 steps. 46: 46: Maximum force: 3.36401e-04 46: 46: 46: Writing Hessian... 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Reading double precision matrix generated by GROMACS 2020.6-Debian-2020.6-2 46: 46: Diagonalizing to find vectors 7 through 18... 46: Writing eigenvalues... 46: 46: Writing average structure & eigenvectors 7--18 to eigenvec.trr 46: This run will generate roughly 0 Mb of data 46: There are: 6 Atoms 46: Using begin = 7 and end = 18 46: Full matrix storage format, nrow=18, ncols=18 46: Writing eigenfrequencies - negative eigenvalues will be set to zero. 46: Cannot compute entropy when -first = 7 46: [ OK ] NormalModesWorks/NormalModesTest.WithinTolerances/2 (628 ms) 46: [ RUN ] NormalModesWorks/NormalModesTest.WithinTolerances/3 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_3_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_3_input.mdp]: 46: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 46: nstcomm to nstcalcenergy 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Number of degrees of freedom in T-Coupling group System is 6.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_3_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: Small system size (N=3), using full Hessian format. 46: Allocating Hessian memory... 46: 46: starting normal mode calculation '1 TIP5P' 46: 6 steps. 46: 46: Maximum force: 2.42882e-04 46: 46: 46: Writing Hessian... 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Reading double precision matrix generated by GROMACS 2020.6-Debian-2020.6-2 46: 46: Diagonalizing to find vectors 7 through 9... 46: Writing eigenvalues... 46: 46: Writing average structure & eigenvectors 7--9 to eigenvec.trr 46: This run will generate roughly 0 Mb of data 46: There are: 3 Atoms 46: There are: 2 VSites 46: Using begin = 7 and end = 9 46: Full matrix storage format, nrow=9, ncols=9 46: Writing eigenfrequencies - negative eigenvalues will be set to zero. 46: Cannot compute entropy when -first = 7 46: [ OK ] NormalModesWorks/NormalModesTest.WithinTolerances/3 (546 ms) 46: [ RUN ] NormalModesWorks/NormalModesTest.WithinTolerances/4 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_4_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: Generated 6 of the 10 non-bonded parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SW' 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Number of degrees of freedom in T-Coupling group System is 15.00 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_4_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 2 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: Small system size (N=6), using full Hessian format. 46: Allocating Hessian memory... 46: 46: starting normal mode calculation 'sw dimer' 46: 12 steps. 46: 46: Maximum force: 1.07599e-03 46: The force is probably not small enough to ensure that you are at a minimum. 46: Be aware that negative eigenvalues may occur 46: when the resulting matrix is diagonalized. 46: 46: 46: Writing Hessian... 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalModesWorks_NormalModesTest_WithinTolerances_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Reading double precision matrix generated by GROMACS 2020.6-Debian-2020.6-2 46: 46: Diagonalizing to find vectors 7 through 18... 46: Writing eigenvalues... 46: 46: Writing average structure & eigenvectors 7--18 to eigenvec.trr 46: This run will generate roughly 0 Mb of data 46: There are: 6 Atoms 46: There are: 2 Shells 46: There are: 2 VSites 46: 46: NOTE: in the current version shell prediction during the crun is disabled 46: 46: Using begin = 7 and end = 18 46: Full matrix storage format, nrow=18, ncols=18 46: Writing eigenfrequencies - negative eigenvalues will be set to zero. 46: Cannot compute entropy when -first = 7 46: [ OK ] NormalModesWorks/NormalModesTest.WithinTolerances/4 (88 ms) 46: [----------] 5 tests from NormalModesWorks/NormalModesTest (6093 ms total) 46: 46: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_input.mdp]: 46: NVE simulation: will use the initial temperature of 68.810 K for 46: determining the Verlet buffer size 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Argon' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 46: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.126 0.063 199.8 46: (ns/day) (hour/ns) 46: Performance: 23.357 1.028 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Argon', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim1.trr' 46: 46: trr version: GMX_trn_file (double precision) 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 21 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 194.2 46: (ns/day) (hour/ns) 46: Performance: 1625.915 0.015 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_0_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/0 (74 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_input.mdp]: 46: NVE simulation: will use the initial temperature of 68.810 K for 46: determining the Verlet buffer size 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Argon' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 46: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.012 0.006 198.9 46: (ns/day) (hour/ns) 46: Performance: 240.997 0.100 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Argon', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 14 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 192.4 46: (ns/day) (hour/ns) 46: Performance: 1344.521 0.018 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_1_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/1 (19 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: There were 2 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Argon' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 46: Calculated rlist for 1x1 atom pair-list as 0.708 nm, buffer size 0.008 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.708 nm, buffer size 0.008 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.008 0.004 197.5 46: (ns/day) (hour/ns) 46: Performance: 355.016 0.068 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 100, rlist from 0.708 to 0.73 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Argon', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 17 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.001 0.001 194.5 46: (ns/day) (hour/ns) 46: Performance: 2563.709 0.009 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_2_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/2 (16 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 1 of the 1 non-bonded parameter combinations 46: Excluding 1 bonded neighbours molecule type 'Argon' 46: Number of degrees of freedom in T-Coupling group System is 33.00 46: 46: There were 2 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Argon' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 46: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.006 0.003 197.4 46: (ns/day) (hour/ns) 46: Performance: 475.722 0.050 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Argon', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 15 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.001 0.001 193.5 46: (ns/day) (hour/ns) 46: Performance: 2173.816 0.011 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_3_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/3 (14 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_input.mdp]: 46: NVE simulation: will use the initial temperature of 398.997 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'spc2' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 46: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.014 0.007 198.3 46: (ns/day) (hour/ns) 46: Performance: 207.644 0.116 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'spc2', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 18 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.001 0.001 194.7 46: (ns/day) (hour/ns) 46: Performance: 2294.448 0.010 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_4_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/4 (648 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_input.mdp]: 46: NVE simulation: will use the initial temperature of 398.997 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'spc2' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 46: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.709 0.354 200.0 46: (ns/day) (hour/ns) 46: Performance: 4.144 5.791 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'spc2', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 15 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 193.7 46: (ns/day) (hour/ns) 46: Performance: 1510.690 0.016 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_5_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/5 (941 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 100, rlist from 0.734 to 0.826 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'spc2' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.735 nm, buffer size 0.035 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.733 nm, buffer size 0.033 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.010 0.005 196.1 46: (ns/day) (hour/ns) 46: Performance: 294.920 0.081 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 100, rlist from 0.734 to 0.826 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'spc2', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 13 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 195.1 46: (ns/day) (hour/ns) 46: Performance: 1334.617 0.018 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_6_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/6 (555 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 330891 of the 330891 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 330891 of the 330891 1-4 parameter combinations 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 27.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'spc2' 46: 16 steps, 0.0 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.008 0.004 196.8 46: (ns/day) (hour/ns) 46: Performance: 341.894 0.070 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'spc2', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 16 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 194.8 46: (ns/day) (hour/ns) 46: Performance: 1855.601 0.013 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_7_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/7 (635 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2145 of the 2145 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2145 of the 2145 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 46: 46: NOTE 3 [file unknown]: 46: You are using constraints on all bonds, whereas the forcefield has been 46: parametrized only with constraints involving hydrogen atoms. We suggest 46: using constraints = h-bonds instead, this will also improve performance. 46: 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Removed 18 Angles with virtual sites, 21 left 46: Removed 10 Proper Dih.s with virtual sites, 44 left 46: Converted 15 Constraints with virtual sites to connections, 7 left 46: Number of degrees of freedom in T-Coupling group System is 23.00 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]: 46: NVE simulation: will use the initial temperature of 456.887 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]: 46: There are 9 non-linear virtual site constructions. Their contribution to 46: the energy error is approximated. In most cases this does not affect the 46: error significantly. 46: 46: 46: NOTE 6 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 6 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Alanine dipeptide in vacuo' 46: 16 steps, 0.0 ps. 46: turning all bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 456.887 K 46: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.561 0.281 199.9 46: (ns/day) (hour/ns) 46: Performance: 5.230 4.589 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Alanine dipeptide in vacuo', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 12 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 195.0 46: (ns/day) (hour/ns) 46: Performance: 844.959 0.028 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_8_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/8 (314 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2145 of the 2145 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2145 of the 2145 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 46: 46: NOTE 3 [file unknown]: 46: You are using constraints on all bonds, whereas the forcefield has been 46: parametrized only with constraints involving hydrogen atoms. We suggest 46: using constraints = h-bonds instead, this will also improve performance. 46: 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Removed 18 Angles with virtual sites, 21 left 46: Removed 10 Proper Dih.s with virtual sites, 44 left 46: Converted 15 Constraints with virtual sites to connections, 7 left 46: Number of degrees of freedom in T-Coupling group System is 23.00 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]: 46: NVE simulation: will use the initial temperature of 456.887 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]: 46: There are 9 non-linear virtual site constructions. Their contribution to 46: the energy error is approximated. In most cases this does not affect the 46: error significantly. 46: 46: 46: NOTE 6 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 6 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Alanine dipeptide in vacuo' 46: 16 steps, 0.0 ps. 46: turning all bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 456.887 K 46: Calculated rlist for 1x1 atom pair-list as 0.737 nm, buffer size 0.037 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.734 nm, buffer size 0.034 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.515 0.258 199.9 46: (ns/day) (hour/ns) 46: Performance: 5.699 4.211 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Alanine dipeptide in vacuo', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 13 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 194.1 46: (ns/day) (hour/ns) 46: Performance: 963.647 0.025 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_9_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/9 (298 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2145 of the 2145 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2145 of the 2145 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 46: 46: NOTE 3 [file unknown]: 46: You are using constraints on all bonds, whereas the forcefield has been 46: parametrized only with constraints involving hydrogen atoms. We suggest 46: using constraints = h-bonds instead, this will also improve performance. 46: 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Removed 18 Angles with virtual sites, 21 left 46: Removed 10 Proper Dih.s with virtual sites, 44 left 46: Converted 15 Constraints with virtual sites to connections, 7 left 46: Number of degrees of freedom in T-Coupling group System is 23.00 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_input.mdp]: 46: There are 9 non-linear virtual site constructions. Their contribution to 46: the energy error is approximated. In most cases this does not affect the 46: error significantly. 46: 46: 46: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 5 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 100, rlist from 0.745 to 0.873 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Alanine dipeptide in vacuo' 46: 16 steps, 0.0 ps. 46: turning all bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.748 nm, buffer size 0.048 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.744 nm, buffer size 0.044 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.010 0.005 196.3 46: (ns/day) (hour/ns) 46: Performance: 289.556 0.083 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 100, rlist from 0.745 to 0.873 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Alanine dipeptide in vacuo', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 12 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 195.6 46: (ns/day) (hour/ns) 46: Performance: 901.067 0.027 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_10_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/10 (107 ms) 46: [ RUN ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2145 of the 2145 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2145 of the 2145 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 46: 46: NOTE 3 [file unknown]: 46: You are using constraints on all bonds, whereas the forcefield has been 46: parametrized only with constraints involving hydrogen atoms. We suggest 46: using constraints = h-bonds instead, this will also improve performance. 46: 46: Cleaning up constraints and constant bonded interactions with virtual sites 46: Removed 18 Angles with virtual sites, 21 left 46: Removed 10 Proper Dih.s with virtual sites, 44 left 46: Converted 15 Constraints with virtual sites to connections, 7 left 46: Number of degrees of freedom in T-Coupling group System is 23.00 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_input.mdp]: 46: There are 9 non-linear virtual site constructions. Their contribution to 46: the energy error is approximated. In most cases this does not affect the 46: error significantly. 46: 46: 46: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 5 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 40, rlist from 0.727 to 0.874 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'Alanine dipeptide in vacuo' 46: 16 steps, 0.0 ps. 46: turning all bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.729 nm, buffer size 0.029 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.726 nm, buffer size 0.026 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.009 0.005 197.1 46: (ns/day) (hour/ns) 46: Performance: 321.736 0.075 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 40, rlist from 0.727 to 0.874 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun 'Alanine dipeptide in vacuo', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 13 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.002 0.001 194.3 46: (ns/day) (hour/ns) 46: Performance: 1161.500 0.021 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/NormalMdrunIsReproduced_MdrunRerunTest_WithinTolerances_11_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] NormalMdrunIsReproduced/MdrunRerunTest.WithinTolerances/11 (94 ms) 46: [----------] 12 tests from NormalMdrunIsReproduced/MdrunRerunTest (3715 ms total) 46: 46: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.010 0.005 196.9 46: (ns/day) (hour/ns) 46: Performance: 286.233 0.084 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 12 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 188.1 46: (ns/day) (hour/ns) 46: Performance: 1066.769 0.022 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_0_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/0 (34 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.013 0.007 196.0 46: (ns/day) (hour/ns) 46: Performance: 220.557 0.109 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 12 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 190.1 46: (ns/day) (hour/ns) 46: Performance: 1021.319 0.023 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_1_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/1 (76 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.014 0.007 197.2 46: (ns/day) (hour/ns) 46: Performance: 211.203 0.114 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 10 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.005 0.002 185.6 46: (ns/day) (hour/ns) 46: Performance: 592.479 0.041 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_2_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/2 (85 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.017 0.009 197.5 46: (ns/day) (hour/ns) 46: Performance: 166.246 0.144 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 13 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 187.9 46: (ns/day) (hour/ns) 46: Performance: 726.228 0.033 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_3_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/3 (51 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.014 0.007 197.1 46: (ns/day) (hour/ns) 46: Performance: 209.352 0.115 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 187.8 46: (ns/day) (hour/ns) 46: Performance: 920.453 0.026 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_4_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/4 (77 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.500 0.250 199.9 46: (ns/day) (hour/ns) 46: Performance: 5.869 4.089 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 10 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 187.8 46: (ns/day) (hour/ns) 46: Performance: 631.532 0.038 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_5_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/5 (283 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.013 0.007 196.6 46: (ns/day) (hour/ns) 46: Performance: 215.601 0.111 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 188.7 46: (ns/day) (hour/ns) 46: Performance: 825.043 0.029 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_6_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/6 (81 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.015 0.007 197.0 46: (ns/day) (hour/ns) 46: Performance: 199.462 0.120 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 189.3 46: (ns/day) (hour/ns) 46: Performance: 650.469 0.037 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_7_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/7 (41 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.013 0.006 197.3 46: (ns/day) (hour/ns) 46: Performance: 226.776 0.106 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 187.6 46: (ns/day) (hour/ns) 46: Performance: 1025.398 0.023 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_8_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/8 (79 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.010 0.005 196.8 46: (ns/day) (hour/ns) 46: Performance: 294.230 0.082 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 187.9 46: (ns/day) (hour/ns) 46: Performance: 1035.916 0.023 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_9_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/9 (31 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.012 0.006 196.8 46: (ns/day) (hour/ns) 46: Performance: 240.761 0.100 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 189.8 46: (ns/day) (hour/ns) 46: Performance: 1055.077 0.023 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_10_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/10 (81 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.012 0.006 199.0 46: (ns/day) (hour/ns) 46: Performance: 243.281 0.099 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 10 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 186.8 46: (ns/day) (hour/ns) 46: Performance: 666.010 0.036 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_11_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/11 (71 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.012 0.006 199.1 46: (ns/day) (hour/ns) 46: Performance: 240.310 0.100 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 188.5 46: (ns/day) (hour/ns) 46: Performance: 1094.244 0.022 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_12_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/12 (40 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.021 0.011 196.6 46: (ns/day) (hour/ns) 46: Performance: 138.890 0.173 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.005 0.002 189.7 46: (ns/day) (hour/ns) 46: Performance: 612.933 0.039 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_13_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/13 (85 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.013 0.006 198.2 46: (ns/day) (hour/ns) 46: Performance: 229.856 0.104 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 182.7 46: (ns/day) (hour/ns) 46: Performance: 1002.048 0.024 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_14_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/14 (79 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.011 0.006 199.0 46: (ns/day) (hour/ns) 46: Performance: 257.733 0.093 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 187.3 46: (ns/day) (hour/ns) 46: Performance: 1084.039 0.022 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_15_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/15 (31 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.105 0.052 199.8 46: (ns/day) (hour/ns) 46: Performance: 28.078 0.855 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 10 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 188.2 46: (ns/day) (hour/ns) 46: Performance: 724.009 0.033 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_16_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/16 (84 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.026 0.013 199.5 46: (ns/day) (hour/ns) 46: Performance: 110.802 0.217 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.069 0.035 199.1 46: (ns/day) (hour/ns) 46: Performance: 42.147 0.569 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_17_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/17 (80 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.391 0.195 199.9 46: (ns/day) (hour/ns) 46: Performance: 7.519 3.192 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 13 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 186.1 46: (ns/day) (hour/ns) 46: Performance: 886.161 0.027 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_18_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/18 (223 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.013 0.006 198.7 46: (ns/day) (hour/ns) 46: Performance: 228.840 0.105 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 10 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 187.1 46: (ns/day) (hour/ns) 46: Performance: 999.447 0.024 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_19_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/19 (34 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.061 0.031 199.7 46: (ns/day) (hour/ns) 46: Performance: 48.094 0.499 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 187.2 46: (ns/day) (hour/ns) 46: Performance: 640.594 0.037 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_20_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/20 (60 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_input.mdp]: 46: NVE simulation: will use the initial temperature of 293.480 K for 46: determining the Verlet buffer size 46: 46: 46: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 4 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 293.48 K 46: Calculated rlist for 1x1 atom pair-list as 0.751 nm, buffer size 0.051 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.748 nm, buffer size 0.048 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.016 0.008 198.9 46: (ns/day) (hour/ns) 46: Performance: 178.340 0.135 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.027 13.8 46: (ns/day) (hour/ns) 46: Performance: 53.814 0.446 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_21_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/21 (113 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.015 0.008 196.8 46: (ns/day) (hour/ns) 46: Performance: 193.595 0.124 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 186.5 46: (ns/day) (hour/ns) 46: Performance: 995.249 0.024 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_22_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/22 (87 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.019 0.010 196.2 46: (ns/day) (hour/ns) 46: Performance: 153.823 0.156 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 12 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 187.0 46: (ns/day) (hour/ns) 46: Performance: 1013.589 0.024 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_23_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/23 (98 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.012 0.006 197.1 46: (ns/day) (hour/ns) 46: Performance: 246.286 0.097 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 188.4 46: (ns/day) (hour/ns) 46: Performance: 752.301 0.032 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_24_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/24 (97 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.018 0.009 196.3 46: (ns/day) (hour/ns) 46: Performance: 156.575 0.153 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 12 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.006 0.003 188.2 46: (ns/day) (hour/ns) 46: Performance: 493.124 0.049 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_25_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/25 (113 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.011 0.006 197.0 46: (ns/day) (hour/ns) 46: Performance: 258.740 0.093 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 12 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 187.6 46: (ns/day) (hour/ns) 46: Performance: 1014.090 0.024 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_26_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/26 (102 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.095 0.048 199.5 46: (ns/day) (hour/ns) 46: Performance: 30.827 0.779 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.005 0.003 190.5 46: (ns/day) (hour/ns) 46: Performance: 513.426 0.047 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_27_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/27 (99 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.017 0.009 196.3 46: (ns/day) (hour/ns) 46: Performance: 169.373 0.142 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 10 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 188.6 46: (ns/day) (hour/ns) 46: Performance: 648.074 0.037 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_28_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/28 (106 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.379 0.189 199.9 46: (ns/day) (hour/ns) 46: Performance: 7.752 3.096 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.001 185.1 46: (ns/day) (hour/ns) 46: Performance: 1040.641 0.023 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_29_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/29 (286 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.013 0.006 196.8 46: (ns/day) (hour/ns) 46: Performance: 230.993 0.104 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 186.9 46: (ns/day) (hour/ns) 46: Performance: 732.445 0.033 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_30_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/30 (90 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.011 0.006 196.8 46: (ns/day) (hour/ns) 46: Performance: 254.781 0.094 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 14 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.003 0.002 186.3 46: (ns/day) (hour/ns) 46: Performance: 847.283 0.028 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_31_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/31 (96 ms) 46: [ RUN ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: 46: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_input.mdp]: 46: Setting nstcalcenergy (100) equal to nstenergy (4) 46: 46: Generated 2485 of the 2485 non-bonded parameter combinations 46: Generating 1-4 interactions: fudge = 0.5 46: Generated 2485 of the 2485 1-4 parameter combinations 46: Excluding 3 bonded neighbours molecule type 'nonanol' 46: Excluding 2 bonded neighbours molecule type 'SOL' 46: Number of degrees of freedom in T-Coupling group System is 79.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_input.mdp]: 46: You are using a plain Coulomb cut-off, which might produce artifacts. 46: You might want to consider using PME electrostatics. 46: 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun '30 system in water' 46: 16 steps, 0.0 ps. 46: turning H bonds into constraints... 46: turning H bonds into constraints... 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 46: Calculated rlist for 1x1 atom pair-list as 0.752 nm, buffer size 0.052 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.749 nm, buffer size 0.049 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.753 0.377 199.9 46: (ns/day) (hour/ns) 46: Performance: 3.898 6.156 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Changing nstlist from 8 to 25, rlist from 0.75 to 0.883 46: 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting md rerun '30 system in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim1.trr' 46: 46: Reading frame 0 time 0.000 Reading frame 1 time 0.004 Reading frame 2 time 0.008 Reading frame 3 time 0.012 Reading frame 4 time 0.016 Last frame 4 time 0.016 46: 46: NOTE: 11 % of the run time was spent in pair search, 46: you might want to increase nstlist (this has no effect on accuracy) 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.004 0.002 189.2 46: (ns/day) (hour/ns) 46: Performance: 674.838 0.036 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim2.edr as double precision energy file 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MdrunIsReproduced_MdrunRerunFreeEnergyTest_WithinTolerances_32_sim1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 Last energy frame read 4 time 0.016 46: 46: [ OK ] MdrunIsReproduced/MdrunRerunFreeEnergyTest.WithinTolerances/32 (432 ms) 46: [----------] 33 tests from MdrunIsReproduced/MdrunRerunFreeEnergyTest (3426 ms total) 46: 46: [----------] 2 tests from Angles1/SimpleMdrunTest 46: [ RUN ] Angles1/SimpleMdrunTest.WithinTolerances/0 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_0_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: Generated 3 of the 3 non-bonded parameter combinations 46: Excluding 3 bonded neighbours molecule type 'butane' 46: 46: NOTE 2 [file angles1.top, line 72]: 46: In moleculetype 'butane' 4 atoms are not bound by a potential or 46: constraint to any other atom in the same moleculetype. Although 46: technically this might not cause issues in a simulation, this often means 46: that the user forgot to add a bond/potential/constraint or put multiple 46: molecules in the same moleculetype definition by mistake. Run with -v to 46: get information for each atom. 46: 46: Number of degrees of freedom in T-Coupling group System is 9.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_0_input.mdp]: 46: NVE simulation: will use the initial temperature of 238.919 K for 46: determining the Verlet buffer size 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'This_incredible_box_of_butane' 46: 50 steps, 0.1 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 238.919 K 46: Calculated rlist for 1x1 atom pair-list as 0.700 nm, buffer size 0.000 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.700 nm, buffer size 0.000 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.013 0.007 197.8 46: (ns/day) (hour/ns) 46: Performance: 676.418 0.035 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_0.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 5 time 0.020 Reading energy frame 6 time 0.024 Reading energy frame 7 time 0.028 Reading energy frame 8 time 0.032 Reading energy frame 9 time 0.036 Reading energy frame 10 time 0.040 Reading energy frame 11 time 0.044 Reading energy frame 12 time 0.048 Reading energy frame 13 time 0.050 Last energy frame read 13 time 0.050 46: [ OK ] Angles1/SimpleMdrunTest.WithinTolerances/0 (134 ms) 46: [ RUN ] Angles1/SimpleMdrunTest.WithinTolerances/1 46: 46: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_1_input.mdp]: 46: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 46: that with the Verlet scheme, nstlist has no effect on the accuracy of 46: your simulation. 46: 46: Generated 3 of the 3 non-bonded parameter combinations 46: Excluding 3 bonded neighbours molecule type 'butane' 46: 46: NOTE 2 [file angles1.top, line 72]: 46: In moleculetype 'butane' 4 atoms are not bound by a potential or 46: constraint to any other atom in the same moleculetype. Although 46: technically this might not cause issues in a simulation, this often means 46: that the user forgot to add a bond/potential/constraint or put multiple 46: molecules in the same moleculetype definition by mistake. Run with -v to 46: get information for each atom. 46: 46: Number of degrees of freedom in T-Coupling group System is 9.00 46: 46: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_1_input.mdp]: 46: NVE simulation: will use the initial temperature of 238.919 K for 46: determining the Verlet buffer size 46: 46: 46: There were 3 notes 46: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 46: log). 46: The current CPU can measure timings more accurately than the code in 46: mdrun-non-integrator-test was configured to use. This might affect your simulation 46: speed as accurate timings are needed for load-balancing. 46: Please consider rebuilding mdrun-non-integrator-test with the GMX_USE_RDTSCP=ON CMake option. 46: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 46: Can not increase nstlist because an NVE ensemble is used 46: 46: Using 1 MPI thread 46: 46: Non-default thread affinity set, disabling internal thread affinity 46: 46: Using 2 OpenMP threads 46: 46: starting mdrun 'This_incredible_box_of_butane' 46: 50 steps, 0.1 ps. 46: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 238.919 K 46: Calculated rlist for 1x1 atom pair-list as 0.700 nm, buffer size 0.000 nm 46: Set rlist, assuming 4x4 atom pair-list, to 0.700 nm, buffer size 0.000 nm 46: Note that mdrun will redetermine rlist based on the actual pair-list setup 46: This run will generate roughly 0 Mb of data 46: 46: Writing final coordinates. 46: 46: Core t (s) Wall t (s) (%) 46: Time: 0.018 0.009 198.8 46: (ns/day) (hour/ns) 46: Performance: 474.695 0.051 46: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Angles1_SimpleMdrunTest_WithinTolerances_1.edr as double precision energy file 46: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 5 time 0.020 Reading energy frame 6 time 0.024 Reading energy frame 7 time 0.028 Reading energy frame 8 time 0.032 Reading energy frame 9 time 0.036 Reading energy frame 10 time 0.040 Reading energy frame 11 time 0.044 Reading energy frame 12 time 0.048 Reading energy frame 13 time 0.050 Last energy frame read 13 time 0.050 46: [ OK ] Angles1/SimpleMdrunTest.WithinTolerances/1 (40 ms) 46: [----------] 2 tests from Angles1/SimpleMdrunTest (174 ms total) 46: 46: [----------] Global test environment tear-down 46: [==========] 65 tests from 7 test cases ran. (15801 ms total) 46: [ PASSED ] 65 tests. 46/54 Test #46: MdrunNonIntegratorTests ............. Passed 15.92 sec test 47 Start 47: MdrunTpiTests 47: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/mdrun-tpi-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MdrunTpiTests.xml" 47: Test timeout computed to be: 600 47: [==========] Running 2 tests from 1 test case. 47: [----------] Global test environment set-up. 47: [----------] 2 tests from Simple/TpiTest 47: [ RUN ] Simple/TpiTest.ReproducesOutput/0 47: Ignoring obsolete mdp entry 'ns_type' 47: Generated 331705 of the 331705 non-bonded parameter combinations 47: Generating 1-4 interactions: fudge = 0.5 47: Generated 331705 of the 331705 1-4 parameter combinations 47: Excluding 2 bonded neighbours molecule type 'SOL' 47: Excluding 3 bonded neighbours molecule type 'methane' 47: Number of degrees of freedom in T-Coupling group System is 1308.00 47: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 47: log). 47: The current CPU can measure timings more accurately than the code in 47: mdrun-tpi-test was configured to use. This might affect your simulation 47: speed as accurate timings are needed for load-balancing. 47: Please consider rebuilding mdrun-tpi-test with the GMX_USE_RDTSCP=ON CMake option. 47: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Simple_TpiTest_ReproducesOutput_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 47: 47: TPI is not implemented for GPUs. 47: 47: Using 1 MPI thread 47: 47: Non-default thread affinity set, disabling internal thread affinity 47: 47: Using 1 OpenMP thread 47: 47: Reading frames from gro file '216 water molecules', 648 atoms. 47: Reading frame 0 time 0.000 mu 8.706e+02 8.706e+02 47: Last frame 0 time 0.000 47: Analysing residue names: 47: There are: 216 Water residues 47: There are: 1 Other residues 47: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups... 47: This run will generate roughly 0 Mb of data 47: [ OK ] Simple/TpiTest.ReproducesOutput/0 (826 ms) 47: [ RUN ] Simple/TpiTest.ReproducesOutput/1 47: Ignoring obsolete mdp entry 'ns_type' 47: Generated 331705 of the 331705 non-bonded parameter combinations 47: Generating 1-4 interactions: fudge = 0.5 47: Generated 331705 of the 331705 1-4 parameter combinations 47: Excluding 2 bonded neighbours molecule type 'SOL' 47: Excluding 3 bonded neighbours molecule type 'methane' 47: Number of degrees of freedom in T-Coupling group System is 1308.00 47: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 47: log). 47: The current CPU can measure timings more accurately than the code in 47: mdrun-tpi-test was configured to use. This might affect your simulation 47: speed as accurate timings are needed for load-balancing. 47: Please consider rebuilding mdrun-tpi-test with the GMX_USE_RDTSCP=ON CMake option. 47: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/Simple_TpiTest_ReproducesOutput_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 47: 47: TPI is not implemented for GPUs. 47: 47: Using 1 MPI thread 47: 47: Non-default thread affinity set, disabling internal thread affinity 47: 47: Using 1 OpenMP thread 47: 47: Reading frames from gro file '216 water molecules', 648 atoms. 47: Reading frame 0 time 0.000 mu 9.144e+01 9.144e+01 47: Last frame 0 time 0.000 47: Analysing residue names: 47: There are: 216 Water residues 47: There are: 1 Other residues 47: Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups... 47: This run will generate roughly 0 Mb of data 47: [ OK ] Simple/TpiTest.ReproducesOutput/1 (758 ms) 47: [----------] 2 tests from Simple/TpiTest (1584 ms total) 47: 47: [----------] Global test environment tear-down 47: [==========] 2 tests from 1 test case ran. (1584 ms total) 47: [ PASSED ] 2 tests. 47/54 Test #47: MdrunTpiTests ....................... Passed 1.61 sec test 48 Start 48: MdrunMpiTests 48: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/mdrun-mpi-test "-ntomp" "2" "-ntmpi" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MdrunMpiTests.xml" 48: Test timeout computed to be: 600 48: [==========] Running 22 tests from 7 test cases. 48: [----------] Global test environment set-up. 48: [----------] 1 test from DomainDecompositionSpecialCasesTest 48: [ RUN ] DomainDecompositionSpecialCasesTest.AnEmptyDomainWorks 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DomainDecompositionSpecialCasesTest_AnEmptyDomainWorks_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to -671236125 48: Generated 3 of the 3 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 3 of the 3 1-4 parameter combinations 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group rest is 9.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DomainDecompositionSpecialCasesTest_AnEmptyDomainWorks_input.mdp]: 48: NVE simulation with an initial temperature of zero: will use a Verlet 48: buffer of 10%. Check your energy drift! 48: 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DomainDecompositionSpecialCasesTest_AnEmptyDomainWorks_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/DomainDecompositionSpecialCasesTest_AnEmptyDomainWorks.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting mdrun 'spc2' 48: 0 steps, 0.0 ps. 48: 48: NOTE: 20 % of the run time was spent in domain decomposition, 48: 19 % of the run time was spent in pair search, 48: you might want to increase nstlist (this has no effect on accuracy) 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.001 0.000 299.0 48: (ns/day) (hour/ns) 48: Performance: 322.840 0.074 48: This run will generate roughly 0 Mb of data 48: [ OK ] DomainDecompositionSpecialCasesTest.AnEmptyDomainWorks (78 ms) 48: [----------] 1 test from DomainDecompositionSpecialCasesTest (78 ms total) 48: 48: [----------] 4 tests from MimicTest 48: [ RUN ] MimicTest.OneQuantumMol 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to 1977215919 48: Generated 10 of the 10 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 10 of the 10 1-4 parameter combinations 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group rest is 21.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol_input.mdp]: 48: NVE simulation with an initial temperature of zero: will use a Verlet 48: buffer of 10%. Check your energy drift! 48: 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting md rerun 'Generated by gmx solvate', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/4water.gro' 48: 48: Reading frames from gro file 'Generated by gmx solvate', 12 atoms. 48: Reading frame 0 time 0.000 Last frame 0 time 0.000 48: 48: NOTE: 16 % of the run time was spent in domain decomposition, 48: 12 % of the run time was spent in pair search, 48: you might want to increase nstlist (this has no effect on accuracy) 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.001 0.000 380.9 48: (ns/day) (hour/ns) 48: Performance: 256.286 0.094 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_OneQuantumMol.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 48: [ OK ] MimicTest.OneQuantumMol (6 ms) 48: [ RUN ] MimicTest.AllQuantumMol 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to -205783585 48: Generated 10 of the 10 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 10 of the 10 1-4 parameter combinations 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group rest is 21.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]: 48: NVE simulation with an initial temperature of zero: will use a Verlet 48: buffer of 10%. Check your energy drift! 48: 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting md rerun 'Generated by gmx solvate', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/4water.gro' 48: 48: Reading frames from gro file 'Generated by gmx solvate', 12 atoms. 48: Reading frame 0 time 0.000 Last frame 0 time 0.000 48: 48: NOTE: 17 % of the run time was spent in domain decomposition, 48: 12 % of the run time was spent in pair search, 48: you might want to increase nstlist (this has no effect on accuracy) 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.001 0.000 380.3 48: (ns/day) (hour/ns) 48: Performance: 262.505 0.091 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_AllQuantumMol.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 48: [ OK ] MimicTest.AllQuantumMol (6 ms) 48: [ RUN ] MimicTest.TwoQuantumMol 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to -1084633154 48: Generated 10 of the 10 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 10 of the 10 1-4 parameter combinations 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group rest is 21.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]: 48: NVE simulation with an initial temperature of zero: will use a Verlet 48: buffer of 10%. Check your energy drift! 48: 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting md rerun 'Generated by gmx solvate', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/4water.gro' 48: 48: Reading frames from gro file 'Generated by gmx solvate', 12 atoms. 48: Reading frame 0 time 0.000 Last frame 0 time 0.000 48: 48: NOTE: 17 % of the run time was spent in domain decomposition, 48: 12 % of the run time was spent in pair search, 48: you might want to increase nstlist (this has no effect on accuracy) 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.001 0.000 380.6 48: (ns/day) (hour/ns) 48: Performance: 268.435 0.089 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_TwoQuantumMol.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 48: [ OK ] MimicTest.TwoQuantumMol (6 ms) 48: [ RUN ] MimicTest.BondCuts 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to -1295057621 48: Generated 2211 of the 2211 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 2211 of the 2211 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Protein_chain_A' 48: Number of degrees of freedom in T-Coupling group rest is 66.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]: 48: NVE simulation: will use the initial temperature of 300.368 K for 48: determining the Verlet buffer size 48: 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting md rerun 'UNNAMED in water', reading coordinates from input trajectory '/build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase/ala.gro' 48: 48: Reading frames from gro file 'Alanine dipeptide in water', 23 atoms. 48: Reading frame 0 time 0.000 Last frame 0 time 0.000 48: 48: NOTE: 16 % of the run time was spent in domain decomposition, 48: 11 % of the run time was spent in pair search, 48: you might want to increase nstlist (this has no effect on accuracy) 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.004 0.001 387.8 48: (ns/day) (hour/ns) 48: Performance: 84.149 0.285 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MimicTest_BondCuts.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300.368 K 48: Calculated rlist for 1x1 atom pair-list as 1.034 nm, buffer size 0.034 nm 48: Set rlist, assuming 4x4 atom pair-list, to 1.025 nm, buffer size 0.025 nm 48: Note that mdrun will redetermine rlist based on the actual pair-list setup 48: This run will generate roughly 0 Mb of data 48: [ OK ] MimicTest.BondCuts (64 ms) 48: [----------] 4 tests from MimicTest (82 ms total) 48: 48: [----------] 1 test from MultiSimTerminationTest 48: [ RUN ] MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts 48: [ OK ] MultiSimTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (0 ms) 48: [----------] 1 test from MultiSimTerminationTest (0 ms total) 48: 48: [----------] 3 tests from PmeTest 48: [ RUN ] PmeTest.ReproducesEnergies 48: Setting the LD random seed to 2004315967 48: Generated 8 of the 10 non-bonded parameter combinations 48: Excluding 2 bonded neighbours molecule type 'Methanol' 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group rest is 12.00 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_input.mdp]: 48: NVE simulation: will use the initial temperature of 1046.791 K for 48: determining the Verlet buffer size 48: 48: Estimate for the relative computational load of the PME mesh part: 1.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_input.mdp]: 48: The optimal PME mesh load for parallel simulations is below 0.5 48: and for highly parallel simulations between 0.25 and 0.33, 48: for higher performance, increase the cut-off and the PME grid spacing. 48: 48: 48: 48: There were 2 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: Using 0 OpenMP thread per tMPI thread for PME 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting mdrun 'spc-and-methanol' 48: 20 steps, 0.0 ps. 48: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 48: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 48: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 48: Note that mdrun will redetermine rlist based on the actual pair-list setup 48: Calculating fourier grid dimensions for X Y Z 48: Using a fourier grid of 28x28x28, spacing 0.107 0.107 0.107 48: This run will generate roughly 0 Mb of data 48: 48: Writing final coordinates. 48: 48: Core t (s) Wall t (s) (%) 48: Time: 3.150 0.788 400.0 48: (ns/day) (hour/ns) 48: Performance: 2.304 10.417 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeAuto.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 Reading energy frame 2 time 0.002 Reading energy frame 3 time 0.003 Reading energy frame 4 time 0.004 Reading energy frame 5 time 0.005 Reading energy frame 6 time 0.006 Reading energy frame 7 time 0.007 Reading energy frame 8 time 0.008 Reading energy frame 9 time 0.009 Reading energy frame 10 time 0.010 Reading energy frame 11 time 0.011 Reading energy frame 12 time 0.012 Reading energy frame 13 time 0.013 Reading energy frame 14 time 0.014 Reading energy frame 15 time 0.015 Reading energy frame 16 time 0.016 Reading energy frame 17 time 0.017 Reading energy frame 18 time 0.018 Reading energy frame 19 time 0.019 Reading energy frame 20 time 0.020 Last energy frame read 20 time 0.020 Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: Using 0 OpenMP thread per tMPI thread for PME 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting mdrun 'spc-and-methanol' 48: 20 steps, 0.0 ps. 48: 48: Writing final coordinates. 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.355 0.089 399.5 48: (ns/day) (hour/ns) 48: Performance: 20.444 1.174 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpu.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 Reading energy frame 2 time 0.002 Reading energy frame 3 time 0.003 Reading energy frame 4 time 0.004 Reading energy frame 5 time 0.005 Reading energy frame 6 time 0.006 Reading energy frame 7 time 0.007 Reading energy frame 8 time 0.008 Reading energy frame 9 time 0.009 Reading energy frame 10 time 0.010 Reading energy frame 11 time 0.011 Reading energy frame 12 time 0.012 Reading energy frame 13 time 0.013 Reading energy frame 14 time 0.014 Reading energy frame 15 time 0.015 Reading energy frame 16 time 0.016 Reading energy frame 17 time 0.017 Reading energy frame 18 time 0.018 Reading energy frame 19 time 0.019 Reading energy frame 20 time 0.020 Last energy frame read 20 time 0.020 Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: Using 0 OpenMP thread per tMPI thread for PME 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting mdrun 'spc-and-methanol' 48: 20 steps, 0.0 ps. 48: 48: Writing final coordinates. 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.242 0.100 242.1 48: (ns/day) (hour/ns) 48: Performance: 18.150 1.322 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ReproducesEnergies_spc-and-methanol_PmeOnCpuTune.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.001 Reading energy frame 2 time 0.002 Reading energy frame 3 time 0.003 Reading energy frame 4 time 0.004 Reading energy frame 5 time 0.005 Reading energy frame 6 time 0.006 Reading energy frame 7 time 0.007 Reading energy frame 8 time 0.008 Reading energy frame 9 time 0.009 Reading energy frame 10 time 0.010 Reading energy frame 11 time 0.011 Reading energy frame 12 time 0.012 Reading energy frame 13 time 0.013 Reading energy frame 14 time 0.014 Reading energy frame 15 time 0.015 Reading energy frame 16 time 0.016 Reading energy frame 17 time 0.017 Reading energy frame 18 time 0.018 Reading energy frame 19 time 0.019 Reading energy frame 20 time 0.020 Last energy frame read 20 time 0.020 [ OK ] PmeTest.ReproducesEnergies (1494 ms) 48: [ RUN ] PmeTest.ScalesTheBox 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to -2097715217 48: Generated 8 of the 10 non-bonded parameter combinations 48: Excluding 2 bonded neighbours molecule type 'Methanol' 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group rest is 12.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]: 48: NVE simulation: will use the initial temperature of 1046.791 K for 48: determining the Verlet buffer size 48: 48: Estimate for the relative computational load of the PME mesh part: 1.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_input.mdp]: 48: The optimal PME mesh load for parallel simulations is below 0.5 48: and for highly parallel simulations between 0.25 and 0.33, 48: for higher performance, increase the cut-off and the PME grid spacing. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: Using 0 OpenMP thread per tMPI thread for PME 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting mdrun 'spc-and-methanol' 48: 0 steps, 0.0 ps. 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.003 0.001 369.2 48: (ns/day) (hour/ns) 48: Performance: 123.724 0.194 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBox_spc-and-methanol_PmeOnCpu.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 1046.79 K 48: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 48: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 48: Note that mdrun will redetermine rlist based on the actual pair-list setup 48: Calculating fourier grid dimensions for X Y Z 48: Using a fourier grid of 28x28x28, spacing 0.107 0.107 0.107 48: This run will generate roughly 0 Mb of data 48: [ OK ] PmeTest.ScalesTheBox (12 ms) 48: [ RUN ] PmeTest.ScalesTheBoxWithWalls 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]: 48: For a correct single-point energy evaluation with nsteps = 0, use 48: continuation = yes to avoid constraining the input coordinates. 48: 48: Setting the LD random seed to 805037821 48: Generated 8 of the 10 non-bonded parameter combinations 48: Excluding 2 bonded neighbours molecule type 'Methanol' 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Searching the wall atom type(s) 48: Number of degrees of freedom in T-Coupling group rest is 13.00 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]: 48: NVE simulation: will use the initial temperature of 966.268 K for 48: determining the Verlet buffer size 48: 48: Estimate for the relative computational load of the PME mesh part: 1.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_input.mdp]: 48: The optimal PME mesh load for parallel simulations is below 0.5 48: and for highly parallel simulations between 0.25 and 0.33, 48: for higher performance, increase the cut-off and the PME grid spacing. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: Can not increase nstlist because an NVE ensemble is used 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: Using 0 OpenMP thread per tMPI thread for PME 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: starting mdrun 'spc-and-methanol' 48: 0 steps, 0.0 ps. 48: 48: Core t (s) Wall t (s) (%) 48: Time: 0.015 0.004 386.7 48: (ns/day) (hour/ns) 48: Performance: 22.541 1.065 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PmeTest_ScalesTheBoxWithWalls_spc-and-methanol_PmeOnCpu.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 966.268 K 48: Calculated rlist for 1x1 atom pair-list as 1.000 nm, buffer size 0.000 nm 48: Set rlist, assuming 4x4 atom pair-list, to 1.000 nm, buffer size 0.000 nm 48: Note that mdrun will redetermine rlist based on the actual pair-list setup 48: Calculating fourier grid dimensions for X Y Z 48: Using a fourier grid of 28x28x128, spacing 0.107 0.107 0.118 48: This run will generate roughly 0 Mb of data 48: [ OK ] PmeTest.ScalesTheBoxWithWalls (1494 ms) 48: [----------] 3 tests from PmeTest (3000 ms total) 48: 48: [----------] 1 test from ReplicaExchangeTerminationTest 48: [ RUN ] ReplicaExchangeTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts 48: [ OK ] ReplicaExchangeTerminationTest.WritesCheckpointAfterMaxhTerminationAndThenRestarts (0 ms) 48: [----------] 1 test from ReplicaExchangeTerminationTest (0 ms total) 48: 48: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest 48: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 330891 of the 330891 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 330891 of the 330891 1-4 parameter combinations 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group System is 27.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Steepest Descents: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Steepest Descents did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = -4.79910463671046e+01 48: Maximum force = 1.86297359432217e+02 on atom 13 48: Norm of force = 8.77219865482096e+01 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Reading energy frame 3 time 3.000 Reading energy frame 4 time 4.000 Last energy frame read 4 time 4.000 This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/0 (648 ms) 48: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 330891 of the 330891 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 330891 of the 330891 1-4 parameter combinations 48: Excluding 2 bonded neighbours molecule type 'SOL' 48: Number of degrees of freedom in T-Coupling group System is 27.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Polak-Ribiere Conjugate Gradients: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: F-max = 3.02331e+02 on atom 3 48: F-Norm = 1.18024e+02 48: 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = -5.58622538633254e+01 48: Maximum force = 4.27274822366625e+02 on atom 13 48: Norm of force = 1.84530029253875e+02 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/1 (889 ms) 48: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 20503 of the 20503 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 1 48: Generated 17396 of the 20503 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Glycine' 48: Number of degrees of freedom in T-Coupling group System is 22.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Steepest Descents: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Steepest Descents did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = 3.19376899751522e+02 48: Maximum force = 9.99884921009767e+03 on atom 9 48: Norm of force = 4.61669565054298e+03 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_2_minimize.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Reading energy frame 3 time 3.000 Reading energy frame 4 time 4.000 Last energy frame read 4 time 4.000 turning H bonds into constraints... 48: This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/2 (194 ms) 48: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 20503 of the 20503 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 1 48: Generated 17396 of the 20503 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Glycine' 48: 48: NOTE 3 [file glycine_vacuo.top, line 12]: 48: For accurate cg with LINCS constraints, lincs-order should be 8 or more. 48: 48: Number of degrees of freedom in T-Coupling group System is 22.00 48: 48: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 4 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Polak-Ribiere Conjugate Gradients: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: F-max = 2.41575e+04 on atom 10 48: F-Norm = 1.18451e+04 48: 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = 1.51743018140930e+02 48: Maximum force = 7.42089573409109e+03 on atom 9 48: Norm of force = 3.56929298615740e+03 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 turning H bonds into constraints... 48: This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/3 (283 ms) 48: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 2145 of the 2145 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 2145 of the 2145 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 48: 48: NOTE 3 [file unknown]: 48: You are using constraints on all bonds, whereas the forcefield has been 48: parametrized only with constraints involving hydrogen atoms. We suggest 48: using constraints = h-bonds instead, this will also improve performance. 48: 48: Cleaning up constraints and constant bonded interactions with virtual sites 48: Removed 18 Angles with virtual sites, 21 left 48: Removed 10 Proper Dih.s with virtual sites, 44 left 48: Converted 15 Constraints with virtual sites to connections, 7 left 48: Number of degrees of freedom in T-Coupling group System is 23.00 48: 48: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 4 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Steepest Descents: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Steepest Descents did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = -1.56984193848274e+02 48: Maximum force = 4.56923624626205e+02 on atom 17 48: Norm of force = 1.83258377168315e+02 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 3.000 Last energy frame read 2 time 3.000 turning all bonds into constraints... 48: This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/4 (86 ms) 48: [ RUN ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 2145 of the 2145 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 0.5 48: Generated 2145 of the 2145 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Alanine_dipeptide' 48: 48: NOTE 3 [file unknown]: 48: You are using constraints on all bonds, whereas the forcefield has been 48: parametrized only with constraints involving hydrogen atoms. We suggest 48: using constraints = h-bonds instead, this will also improve performance. 48: 48: 48: NOTE 4 [file unknown]: 48: For accurate cg with LINCS constraints, lincs-order should be 8 or more. 48: 48: Cleaning up constraints and constant bonded interactions with virtual sites 48: Removed 18 Angles with virtual sites, 21 left 48: Removed 10 Proper Dih.s with virtual sites, 44 left 48: Converted 15 Constraints with virtual sites to connections, 7 left 48: Number of degrees of freedom in T-Coupling group System is 23.00 48: 48: NOTE 5 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 5 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Polak-Ribiere Conjugate Gradients: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: F-max = 1.06800e+03 on atom 28 48: F-Norm = 4.26922e+02 48: 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = -1.69410778678182e+02 48: Maximum force = 2.18225948474131e+02 on atom 17 48: Norm of force = 7.92068036537818e+01 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWorkWithConstraints_EnergyMinimizationTest_WithinTolerances_5_minimize.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 turning all bonds into constraints... 48: This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWorkWithConstraints/EnergyMinimizationTest.WithinTolerances/5 (30 ms) 48: [----------] 6 tests from MinimizersWorkWithConstraints/EnergyMinimizationTest (2130 ms total) 48: 48: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest 48: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 1 of the 1 non-bonded parameter combinations 48: Excluding 1 bonded neighbours molecule type 'Argon' 48: Number of degrees of freedom in T-Coupling group System is 33.00 48: 48: There were 2 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Steepest Descents: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: 48: writing lowest energy coordinates. 48: 48: Steepest Descents converged to Fmax < 10 in 1 steps 48: Potential Energy = -9.74257075835447e-01 48: Maximum force = 4.01322929015133e+00 on atom 3 48: Norm of force = 1.63839399694378e+00 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_0_minimize.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Last energy frame read 0 time 0.000 This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/0 (68 ms) 48: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 1 of the 1 non-bonded parameter combinations 48: Excluding 1 bonded neighbours molecule type 'Argon' 48: Number of degrees of freedom in T-Coupling group System is 33.00 48: 48: There were 2 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Polak-Ribiere Conjugate Gradients: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: F-max = 4.01323e+00 on atom 3 48: F-Norm = 1.63839e+00 48: 48: 48: writing lowest energy coordinates. 48: 48: Polak-Ribiere Conjugate Gradients converged to Fmax < 10 in 0 steps 48: Potential Energy = -9.90642313893957e-01 48: Maximum force = 2.57812909491105e+00 on atom 3 48: Norm of force = 1.05251679559258e+00 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_1_minimize.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Last energy frame read 1 time 0.000 This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/1 (8 ms) 48: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: 48: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_2_input.mdp]: 48: For efficient BFGS minimization, use switch/shift/pme instead of cut-off. 48: 48: Generated 1 of the 1 non-bonded parameter combinations 48: Excluding 1 bonded neighbours molecule type 'Argon' 48: Number of degrees of freedom in T-Coupling group System is 33.00 48: 48: There were 2 notes 48: 48: There was 1 warning 48: This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/2 (4 ms) 48: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 20503 of the 20503 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 1 48: Generated 17396 of the 20503 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Glycine' 48: Number of degrees of freedom in T-Coupling group System is 27.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Steepest Descents: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Steepest Descents did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = 3.19395484891520e+02 48: Maximum force = 9.97041707197911e+03 on atom 9 48: Norm of force = 4.62274878665467e+03 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_3_minimize.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 1.000 Reading energy frame 2 time 2.000 Reading energy frame 3 time 3.000 Reading energy frame 4 time 4.000 Last energy frame read 4 time 4.000 This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/3 (186 ms) 48: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: Generated 20503 of the 20503 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 1 48: Generated 17396 of the 20503 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Glycine' 48: Number of degrees of freedom in T-Coupling group System is 27.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 48: log). 48: The current CPU can measure timings more accurately than the code in 48: mdrun-mpi-test was configured to use. This might affect your simulation 48: speed as accurate timings are needed for load-balancing. 48: Please consider rebuilding mdrun-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 48: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 48: 48: Using 2 MPI threads 48: Using 2 OpenMP threads per tMPI thread 48: 48: 48: NOTE: The number of threads is not equal to the number of (logical) cores 48: and the -pin option is set to auto: will not pin threads to cores. 48: This can lead to significant performance degradation. 48: Consider using -pin on (and -pinoffset in case you run multiple jobs). 48: 48: Polak-Ribiere Conjugate Gradients: 48: Tolerance (Fmax) = 1.00000e+01 48: Number of steps = 4 48: F-max = 2.41672e+04 on atom 10 48: F-Norm = 1.19357e+04 48: 48: 48: Energy minimization reached the maximum number of steps before the forces 48: reached the requested precision Fmax < 10. 48: 48: writing lowest energy coordinates. 48: 48: Polak-Ribiere Conjugate Gradients did not converge to Fmax < 10 in 5 steps. 48: Potential Energy = 1.56258793899481e+02 48: Maximum force = 7.50181017480396e+03 on atom 9 48: Norm of force = 3.61390332564874e+03 48: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_4_minimize.edr as double precision energy file 48: Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.000 Reading energy frame 2 time 4.000 Last energy frame read 2 time 4.000 This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/4 (303 ms) 48: [ RUN ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 48: 48: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 48: that with the Verlet scheme, nstlist has no effect on the accuracy of 48: your simulation. 48: 48: 48: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting 48: nstcomm to nstcalcenergy 48: 48: 48: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: For efficient BFGS minimization, use switch/shift/pme instead of cut-off. 48: 48: Generated 20503 of the 20503 non-bonded parameter combinations 48: Generating 1-4 interactions: fudge = 1 48: Generated 17396 of the 20503 1-4 parameter combinations 48: Excluding 3 bonded neighbours molecule type 'Glycine' 48: Number of degrees of freedom in T-Coupling group System is 27.00 48: 48: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/MinimizersWork_EnergyMinimizationTest_WithinTolerances_5_input.mdp]: 48: You are using a plain Coulomb cut-off, which might produce artifacts. 48: You might want to consider using PME electrostatics. 48: 48: 48: 48: There were 3 notes 48: 48: There was 1 warning 48: This run will generate roughly 0 Mb of data 48: [ OK ] MinimizersWork/EnergyMinimizationTest.WithinTolerances/5 (214 ms) 48: [----------] 6 tests from MinimizersWork/EnergyMinimizationTest (783 ms total) 48: 48: [----------] Global test environment tear-down 48: [==========] 22 tests from 7 test cases ran. (6074 ms total) 48: [ PASSED ] 22 tests. 48: 48: YOU HAVE 4 DISABLED TESTS 48: 48/54 Test #48: MdrunMpiTests ....................... Passed 6.20 sec test 49 Start 49: MdrunMpiCoordinationTestsOneRank 49: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/mdrun-mpi-coordination-test "-ntmpi" "1" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MdrunMpiCoordinationTestsOneRank.xml" 49: Test timeout computed to be: 960 49: [==========] Running 27 tests from 3 test cases. 49: [----------] Global test environment set-up. 49: [----------] 1 test from BasicPropagators/PeriodicActionsTest 49: [ RUN ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.013 0.013 99.1 49: (ns/day) (hour/ns) 49: Performance: 109.353 0.219 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 99.0 49: (ns/day) (hour/ns) 49: Performance: 248.923 0.096 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.007 0.007 99.0 49: (ns/day) (hour/ns) 49: Performance: 207.232 0.116 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.6 49: (ns/day) (hour/ns) 49: Performance: 304.077 0.079 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.1 49: (ns/day) (hour/ns) 49: Performance: 331.625 0.072 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.6 49: (ns/day) (hour/ns) 49: Performance: 294.638 0.081 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: [ OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (202 ms) 49: [----------] 1 test from BasicPropagators/PeriodicActionsTest (202 ms total) 49: 49: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.6 49: (ns/day) (hour/ns) 49: Performance: 346.822 0.069 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.3 49: (ns/day) (hour/ns) 49: Performance: 395.976 0.061 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.7 49: (ns/day) (hour/ns) 49: Performance: 267.864 0.090 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.005 98.4 49: (ns/day) (hour/ns) 49: Performance: 325.906 0.074 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.9 49: (ns/day) (hour/ns) 49: Performance: 309.220 0.078 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.4 49: (ns/day) (hour/ns) 49: Performance: 360.248 0.067 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (83 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.6 49: (ns/day) (hour/ns) 49: Performance: 364.662 0.066 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.7 49: (ns/day) (hour/ns) 49: Performance: 327.430 0.073 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.8 49: (ns/day) (hour/ns) 49: Performance: 317.491 0.076 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.7 49: (ns/day) (hour/ns) 49: Performance: 328.127 0.073 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.020 0.020 99.5 49: (ns/day) (hour/ns) 49: Performance: 71.727 0.335 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.1 49: (ns/day) (hour/ns) 49: Performance: 344.071 0.070 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (86 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.008 0.008 97.9 49: (ns/day) (hour/ns) 49: Performance: 190.089 0.126 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.007 0.007 97.9 49: (ns/day) (hour/ns) 49: Performance: 218.686 0.110 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.007 0.007 98.8 49: (ns/day) (hour/ns) 49: Performance: 218.577 0.110 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 97.8 49: (ns/day) (hour/ns) 49: Performance: 229.496 0.105 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.2 49: (ns/day) (hour/ns) 49: Performance: 231.149 0.104 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.007 0.007 97.8 49: (ns/day) (hour/ns) 49: Performance: 220.604 0.109 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (140 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.0 49: (ns/day) (hour/ns) 49: Performance: 304.980 0.079 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.3 49: (ns/day) (hour/ns) 49: Performance: 238.045 0.101 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.2 49: (ns/day) (hour/ns) 49: Performance: 270.059 0.089 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.0 49: (ns/day) (hour/ns) 49: Performance: 297.197 0.081 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.0 49: (ns/day) (hour/ns) 49: Performance: 306.269 0.078 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.005 98.0 49: (ns/day) (hour/ns) 49: Performance: 322.494 0.074 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (105 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 97.8 49: (ns/day) (hour/ns) 49: Performance: 309.484 0.078 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 97.5 49: (ns/day) (hour/ns) 49: Performance: 271.751 0.088 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.5 49: (ns/day) (hour/ns) 49: Performance: 502.536 0.048 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.0 49: (ns/day) (hour/ns) 49: Performance: 529.033 0.045 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.7 49: (ns/day) (hour/ns) 49: Performance: 547.998 0.044 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.002 0.003 97.9 49: (ns/day) (hour/ns) 49: Performance: 577.646 0.042 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (79 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.0 49: (ns/day) (hour/ns) 49: Performance: 534.125 0.045 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.002 0.003 97.7 49: (ns/day) (hour/ns) 49: Performance: 584.386 0.041 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 97.6 49: (ns/day) (hour/ns) 49: Performance: 299.436 0.080 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.601 0.601 100.0 49: (ns/day) (hour/ns) 49: Performance: 2.444 9.819 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.0 49: (ns/day) (hour/ns) 49: Performance: 253.418 0.095 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.0 49: (ns/day) (hour/ns) 49: Performance: 261.252 0.092 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (687 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.5 49: (ns/day) (hour/ns) 49: Performance: 287.703 0.083 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.5 49: (ns/day) (hour/ns) 49: Performance: 298.782 0.080 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.6 49: (ns/day) (hour/ns) 49: Performance: 288.336 0.083 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.018 0.018 99.5 49: (ns/day) (hour/ns) 49: Performance: 80.649 0.298 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.6 49: (ns/day) (hour/ns) 49: Performance: 367.841 0.065 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.0 49: (ns/day) (hour/ns) 49: Performance: 382.883 0.063 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (95 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: 49: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Using Berendsen pressure coupling invalidates the true ensemble for the 49: thermostat 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: 49: There was 1 warning 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.7 49: (ns/day) (hour/ns) 49: Performance: 432.444 0.055 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: 49: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Using Berendsen pressure coupling invalidates the true ensemble for the 49: thermostat 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: 49: There was 1 warning 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.9 49: (ns/day) (hour/ns) 49: Performance: 365.289 0.066 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: 49: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Using Berendsen pressure coupling invalidates the true ensemble for the 49: thermostat 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: 49: There was 1 warning 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.1 49: (ns/day) (hour/ns) 49: Performance: 353.164 0.068 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: 49: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Using Berendsen pressure coupling invalidates the true ensemble for the 49: thermostat 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: 49: There was 1 warning 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.7 49: (ns/day) (hour/ns) 49: Performance: 346.841 0.069 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: 49: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Using Berendsen pressure coupling invalidates the true ensemble for the 49: thermostat 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: 49: There was 1 warning 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.8 49: (ns/day) (hour/ns) 49: Performance: 349.280 0.069 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: 49: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Using Berendsen pressure coupling invalidates the true ensemble for the 49: thermostat 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: 49: There was 1 warning 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.9 49: (ns/day) (hour/ns) 49: Performance: 366.506 0.065 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (94 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.9 49: (ns/day) (hour/ns) 49: Performance: 366.746 0.065 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.9 49: (ns/day) (hour/ns) 49: Performance: 371.433 0.065 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.9 49: (ns/day) (hour/ns) 49: Performance: 366.506 0.065 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.0 49: (ns/day) (hour/ns) 49: Performance: 358.967 0.067 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.9 49: (ns/day) (hour/ns) 49: Performance: 403.339 0.060 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 49: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.7 49: (ns/day) (hour/ns) 49: Performance: 313.932 0.076 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (101 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.3 49: (ns/day) (hour/ns) 49: Performance: 400.246 0.060 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.8 49: (ns/day) (hour/ns) 49: Performance: 428.503 0.056 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.7 49: (ns/day) (hour/ns) 49: Performance: 434.028 0.055 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.0 49: (ns/day) (hour/ns) 49: Performance: 485.392 0.049 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.7 49: (ns/day) (hour/ns) 49: Performance: 436.179 0.055 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.022 0.022 99.6 49: (ns/day) (hour/ns) 49: Performance: 67.280 0.357 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (80 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.6 49: (ns/day) (hour/ns) 49: Performance: 374.140 0.064 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 97.3 49: (ns/day) (hour/ns) 49: Performance: 313.038 0.077 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 97.6 49: (ns/day) (hour/ns) 49: Performance: 293.879 0.082 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.007 0.007 98.0 49: (ns/day) (hour/ns) 49: Performance: 201.399 0.119 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.022 0.022 99.5 49: (ns/day) (hour/ns) 49: Performance: 65.476 0.367 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 96.9 49: (ns/day) (hour/ns) 49: Performance: 523.949 0.046 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (109 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 96.6 49: (ns/day) (hour/ns) 49: Performance: 489.130 0.049 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.2 49: (ns/day) (hour/ns) 49: Performance: 450.270 0.053 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.1 49: (ns/day) (hour/ns) 49: Performance: 434.763 0.055 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.3 49: (ns/day) (hour/ns) 49: Performance: 533.616 0.045 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.1 49: (ns/day) (hour/ns) 49: Performance: 564.881 0.042 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.9 49: (ns/day) (hour/ns) 49: Performance: 569.634 0.042 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (59 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.027 0.027 99.7 49: (ns/day) (hour/ns) 49: Performance: 53.843 0.446 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.6 49: (ns/day) (hour/ns) 49: Performance: 373.256 0.064 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 99.0 49: (ns/day) (hour/ns) 49: Performance: 300.238 0.080 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.2 49: (ns/day) (hour/ns) 49: Performance: 359.785 0.067 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.0 49: (ns/day) (hour/ns) 49: Performance: 400.142 0.060 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.9 49: (ns/day) (hour/ns) 49: Performance: 363.843 0.066 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (88 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.1 49: (ns/day) (hour/ns) 49: Performance: 420.461 0.057 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.8 49: (ns/day) (hour/ns) 49: Performance: 382.955 0.063 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.005 86.5 49: (ns/day) (hour/ns) 49: Performance: 301.325 0.080 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.0 49: (ns/day) (hour/ns) 49: Performance: 446.517 0.054 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.3 49: (ns/day) (hour/ns) 49: Performance: 546.540 0.044 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 49: NVE simulation: will use the initial temperature of 68.810 K for 49: determining the Verlet buffer size 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.5 49: (ns/day) (hour/ns) 49: Performance: 519.312 0.046 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (84 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 99.1 49: (ns/day) (hour/ns) 49: Performance: 543.071 0.044 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 99.1 49: (ns/day) (hour/ns) 49: Performance: 481.259 0.050 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 99.2 49: (ns/day) (hour/ns) 49: Performance: 494.509 0.049 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 99.2 49: (ns/day) (hour/ns) 49: Performance: 513.084 0.047 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.598 0.598 100.0 49: (ns/day) (hour/ns) 49: Performance: 2.455 9.777 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.2 49: (ns/day) (hour/ns) 49: Performance: 341.970 0.070 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (673 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.0 49: (ns/day) (hour/ns) 49: Performance: 404.610 0.059 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.0 49: (ns/day) (hour/ns) 49: Performance: 455.935 0.053 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.1 49: (ns/day) (hour/ns) 49: Performance: 471.065 0.051 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.2 49: (ns/day) (hour/ns) 49: Performance: 420.892 0.057 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 97.9 49: (ns/day) (hour/ns) 49: Performance: 492.729 0.049 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.1 49: (ns/day) (hour/ns) 49: Performance: 456.239 0.053 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (53 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.4 49: (ns/day) (hour/ns) 49: Performance: 488.239 0.049 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.6 49: (ns/day) (hour/ns) 49: Performance: 504.470 0.048 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.030 0.030 99.8 49: (ns/day) (hour/ns) 49: Performance: 48.820 0.492 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 99.0 49: (ns/day) (hour/ns) 49: Performance: 315.620 0.076 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.6 49: (ns/day) (hour/ns) 49: Performance: 385.809 0.062 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.6 49: (ns/day) (hour/ns) 49: Performance: 400.272 0.060 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (94 ms) 49: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.7 49: (ns/day) (hour/ns) 49: Performance: 318.789 0.075 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.8 49: (ns/day) (hour/ns) 49: Performance: 336.921 0.071 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.1 49: (ns/day) (hour/ns) 49: Performance: 335.654 0.072 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.8 49: (ns/day) (hour/ns) 49: Performance: 385.809 0.062 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.9 49: (ns/day) (hour/ns) 49: Performance: 402.890 0.060 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 1 of the 1 non-bonded parameter combinations 49: Excluding 1 bonded neighbours molecule type 'Argon' 49: Number of degrees of freedom in T-Coupling group System is 33.00 49: 49: There were 2 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'Argon' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 49: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.8 49: (ns/day) (hour/ns) 49: Performance: 408.446 0.059 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file 49: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (62 ms) 49: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest (2773 ms total) 49: 49: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.4 49: (ns/day) (hour/ns) 49: Performance: 342.579 0.070 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.007 0.007 98.8 49: (ns/day) (hour/ns) 49: Performance: 208.283 0.115 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.007 0.007 98.7 49: (ns/day) (hour/ns) 49: Performance: 207.114 0.116 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.007 0.007 99.2 49: (ns/day) (hour/ns) 49: Performance: 212.178 0.113 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.6 49: (ns/day) (hour/ns) 49: Performance: 399.054 0.060 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.010 0.010 99.1 49: (ns/day) (hour/ns) 49: Performance: 149.889 0.160 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (3688 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.7 49: (ns/day) (hour/ns) 49: Performance: 227.774 0.105 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.9 49: (ns/day) (hour/ns) 49: Performance: 236.573 0.101 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 99.0 49: (ns/day) (hour/ns) 49: Performance: 231.697 0.104 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.393 0.393 100.0 49: (ns/day) (hour/ns) 49: Performance: 3.734 6.428 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.009 0.009 99.1 49: (ns/day) (hour/ns) 49: Performance: 164.907 0.146 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.009 0.009 98.8 49: (ns/day) (hour/ns) 49: Performance: 166.750 0.144 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (4716 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.442 0.442 100.0 49: (ns/day) (hour/ns) 49: Performance: 3.321 7.226 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.2 49: (ns/day) (hour/ns) 49: Performance: 332.843 0.072 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.547 0.547 100.0 49: (ns/day) (hour/ns) 49: Performance: 2.686 8.934 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.4 49: (ns/day) (hour/ns) 49: Performance: 350.273 0.069 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.007 0.007 98.4 49: (ns/day) (hour/ns) 49: Performance: 220.707 0.109 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 99.1 49: (ns/day) (hour/ns) 49: Performance: 248.151 0.097 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (4837 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.3 49: (ns/day) (hour/ns) 49: Performance: 344.052 0.070 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 97.4 49: (ns/day) (hour/ns) 49: Performance: 333.059 0.072 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.1 49: (ns/day) (hour/ns) 49: Performance: 272.931 0.088 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 98.1 49: (ns/day) (hour/ns) 49: Performance: 276.856 0.087 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.1 49: (ns/day) (hour/ns) 49: Performance: 258.620 0.093 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.3 49: (ns/day) (hour/ns) 49: Performance: 227.018 0.106 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (4345 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.007 0.007 98.2 49: (ns/day) (hour/ns) 49: Performance: 208.184 0.115 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.3 49: (ns/day) (hour/ns) 49: Performance: 396.103 0.061 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.007 0.007 98.5 49: (ns/day) (hour/ns) 49: Performance: 211.023 0.114 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.028 0.028 99.5 49: (ns/day) (hour/ns) 49: Performance: 52.742 0.455 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.2 49: (ns/day) (hour/ns) 49: Performance: 336.755 0.071 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.003 0.003 98.0 49: (ns/day) (hour/ns) 49: Performance: 504.925 0.048 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (4920 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 97.9 49: (ns/day) (hour/ns) 49: Performance: 270.914 0.089 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 98.1 49: (ns/day) (hour/ns) 49: Performance: 359.344 0.067 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.008 0.008 97.8 49: (ns/day) (hour/ns) 49: Performance: 174.383 0.138 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.3 49: (ns/day) (hour/ns) 49: Performance: 251.371 0.095 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 97.6 49: (ns/day) (hour/ns) 49: Performance: 310.061 0.077 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 98.3 49: (ns/day) (hour/ns) 49: Performance: 239.591 0.100 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (4378 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.2 49: (ns/day) (hour/ns) 49: Performance: 351.652 0.068 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.008 0.008 99.5 49: (ns/day) (hour/ns) 49: Performance: 175.431 0.137 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.2 49: (ns/day) (hour/ns) 49: Performance: 379.932 0.063 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.014 0.014 99.7 49: (ns/day) (hour/ns) 49: Performance: 108.316 0.222 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 99.3 49: (ns/day) (hour/ns) 49: Performance: 245.726 0.098 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: NVE simulation: will use the initial temperature of 398.997 K for 49: determining the Verlet buffer size 49: 49: 49: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 4 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Can not increase nstlist because an NVE ensemble is used 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 49: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.006 0.006 99.3 49: (ns/day) (hour/ns) 49: Performance: 245.198 0.098 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (5698 ms) 49: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 99.2 49: (ns/day) (hour/ns) 49: Performance: 310.498 0.077 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.3 49: (ns/day) (hour/ns) 49: Performance: 366.964 0.065 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.4 49: (ns/day) (hour/ns) 49: Performance: 362.580 0.066 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 49: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.005 0.005 99.5 49: (ns/day) (hour/ns) 49: Performance: 296.325 0.081 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.2 49: (ns/day) (hour/ns) 49: Performance: 388.902 0.062 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 49: 49: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 49: that with the Verlet scheme, nstlist has no effect on the accuracy of 49: your simulation. 49: 49: 49: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: Setting nstcalcenergy (100) equal to nstenergy (4) 49: 49: Generated 330891 of the 330891 non-bonded parameter combinations 49: Generating 1-4 interactions: fudge = 0.5 49: Generated 330891 of the 330891 1-4 parameter combinations 49: Excluding 2 bonded neighbours molecule type 'SOL' 49: Number of degrees of freedom in T-Coupling group System is 27.00 49: 49: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 49: You are using a plain Coulomb cut-off, which might produce artifacts. 49: You might want to consider using PME electrostatics. 49: 49: 49: 49: There were 3 notes 49: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 49: log). 49: The current CPU can measure timings more accurately than the code in 49: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 49: speed as accurate timings are needed for load-balancing. 49: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 49: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 49: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 49: 49: 49: Using 1 MPI thread 49: 49: Non-default thread affinity set, disabling internal thread affinity 49: 49: Using 1 OpenMP thread 49: 49: starting mdrun 'spc2' 49: 16 steps, 0.0 ps. 49: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 49: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 49: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 49: Note that mdrun will redetermine rlist based on the actual pair-list setup 49: This run will generate roughly 0 Mb of data 49: 49: Writing final coordinates. 49: 49: Core t (s) Wall t (s) (%) 49: Time: 0.004 0.004 99.1 49: (ns/day) (hour/ns) 49: Performance: 341.232 0.070 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 49: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 49: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (3599 ms) 49: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest (36182 ms total) 49: 49: [----------] Global test environment tear-down 49: [==========] 27 tests from 3 test cases ran. (39157 ms total) 49: [ PASSED ] 27 tests. 49/54 Test #49: MdrunMpiCoordinationTestsOneRank .... Passed 39.18 sec test 50 Start 50: MdrunMpiCoordinationTestsTwoRanks 50: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/mdrun-mpi-coordination-test "-ntmpi" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/MdrunMpiCoordinationTestsTwoRanks.xml" 50: Test timeout computed to be: 960 50: [==========] Running 27 tests from 3 test cases. 50: [----------] Global test environment set-up. 50: [----------] 1 test from BasicPropagators/PeriodicActionsTest 50: [ RUN ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.4%. 50: The balanceable part of the MD step is 47%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.7%. 50: 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.017 0.009 197.4 50: (ns/day) (hour/ns) 50: Performance: 169.235 0.142 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 7.0%. 50: The balanceable part of the MD step is 48%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.4%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 38 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 195.4 50: (ns/day) (hour/ns) 50: Performance: 291.467 0.082 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 6.2%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.1%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.004 195.3 50: (ns/day) (hour/ns) 50: Performance: 331.964 0.072 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 7.2%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.5%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 38 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.0 50: (ns/day) (hour/ns) 50: Performance: 359.942 0.067 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 7.4%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.6%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.9 50: (ns/day) (hour/ns) 50: Performance: 362.132 0.066 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.4%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.2%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 195.5 50: (ns/day) (hour/ns) 50: Performance: 415.835 0.058 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/BasicPropagators_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: [ OK ] BasicPropagators/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (187 ms) 50: [----------] 1 test from BasicPropagators/PeriodicActionsTest (187 ms total) 50: 50: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.1%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.6%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 194.9 50: (ns/day) (hour/ns) 50: Performance: 446.404 0.054 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.5%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.8%. 50: 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 196.1 50: (ns/day) (hour/ns) 50: Performance: 442.890 0.054 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.5%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.7%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 196.1 50: (ns/day) (hour/ns) 50: Performance: 489.869 0.049 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.1%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.6%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.004 195.8 50: (ns/day) (hour/ns) 50: Performance: 326.571 0.073 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 11.1%. 50: The balanceable part of the MD step is 46%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 5.1%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: NOTE: 5.1 % of the available CPU time was lost due to load imbalance 50: in the domain decomposition. 50: You can consider manually changing the decomposition (option -dd); 50: e.g. by using fewer domains along the box dimension in which there is 50: considerable inhomogeneity in the simulated system. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.013 0.006 197.1 50: (ns/day) (hour/ns) 50: Performance: 230.019 0.104 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.4%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.7%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 195.5 50: (ns/day) (hour/ns) 50: Performance: 489.772 0.049 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (108 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.0%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.5%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 196.2 50: (ns/day) (hour/ns) 50: Performance: 444.263 0.054 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.2%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.6%. 50: 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 195.9 50: (ns/day) (hour/ns) 50: Performance: 472.910 0.051 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.9%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.9%. 50: 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 194.9 50: (ns/day) (hour/ns) 50: Performance: 443.447 0.054 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 0.8%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.4%. 50: 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 194.3 50: (ns/day) (hour/ns) 50: Performance: 349.756 0.069 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.6%. 50: The balanceable part of the MD step is 48%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.8%. 50: 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 196.0 50: (ns/day) (hour/ns) 50: Performance: 394.568 0.061 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.0%. 50: The balanceable part of the MD step is 46%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.9%. 50: 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 195.7 50: (ns/day) (hour/ns) 50: Performance: 433.494 0.055 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (106 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.0%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.5%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 195.5 50: (ns/day) (hour/ns) 50: Performance: 448.761 0.053 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.3%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.6%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 195.6 50: (ns/day) (hour/ns) 50: Performance: 454.572 0.053 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.0%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.5%. 50: 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 195.0 50: (ns/day) (hour/ns) 50: Performance: 469.808 0.051 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 0.4%. 50: The balanceable part of the MD step is 53%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.2%. 50: 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.012 0.006 196.4 50: (ns/day) (hour/ns) 50: Performance: 237.288 0.101 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.9%. 50: The balanceable part of the MD step is 48%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.9%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 194.7 50: (ns/day) (hour/ns) 50: Performance: 359.732 0.067 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 4.6%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 2.3%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.0 50: (ns/day) (hour/ns) 50: Performance: 341.477 0.070 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (116 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.102 0.051 199.1 50: (ns/day) (hour/ns) 50: Performance: 28.639 0.838 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 195.9 50: (ns/day) (hour/ns) 50: Performance: 317.425 0.076 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.011 0.006 195.0 50: (ns/day) (hour/ns) 50: Performance: 259.661 0.092 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.107 0.054 199.5 50: (ns/day) (hour/ns) 50: Performance: 27.449 0.874 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.011 0.006 196.7 50: (ns/day) (hour/ns) 50: Performance: 253.559 0.095 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 195.8 50: (ns/day) (hour/ns) 50: Performance: 319.566 0.075 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (200 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.107 0.054 199.5 50: (ns/day) (hour/ns) 50: Performance: 27.324 0.878 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 194.8 50: (ns/day) (hour/ns) 50: Performance: 316.195 0.076 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.012 0.006 197.1 50: (ns/day) (hour/ns) 50: Performance: 237.985 0.101 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 93 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.103 0.051 199.3 50: (ns/day) (hour/ns) 50: Performance: 28.539 0.841 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 194.7 50: (ns/day) (hour/ns) 50: Performance: 323.680 0.074 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 196.5 50: (ns/day) (hour/ns) 50: Performance: 305.131 0.079 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (191 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 196.4 50: (ns/day) (hour/ns) 50: Performance: 294.963 0.081 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 37 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 195.7 50: (ns/day) (hour/ns) 50: Performance: 411.172 0.058 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 195.4 50: (ns/day) (hour/ns) 50: Performance: 289.699 0.083 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 195.4 50: (ns/day) (hour/ns) 50: Performance: 437.325 0.055 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 196.8 50: (ns/day) (hour/ns) 50: Performance: 345.674 0.069 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 38 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 194.6 50: (ns/day) (hour/ns) 50: Performance: 381.437 0.063 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (185 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.012 0.006 195.1 50: (ns/day) (hour/ns) 50: Performance: 240.879 0.100 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 93 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.096 0.048 199.3 50: (ns/day) (hour/ns) 50: Performance: 30.544 0.786 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 196.2 50: (ns/day) (hour/ns) 50: Performance: 357.685 0.067 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 196.0 50: (ns/day) (hour/ns) 50: Performance: 372.534 0.064 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 196.4 50: (ns/day) (hour/ns) 50: Performance: 348.598 0.069 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 95 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.109 0.055 199.4 50: (ns/day) (hour/ns) 50: Performance: 26.924 0.891 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (182 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: 50: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Using Berendsen pressure coupling invalidates the true ensemble for the 50: thermostat 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: 50: There was 1 warning 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 196.3 50: (ns/day) (hour/ns) 50: Performance: 283.990 0.085 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: 50: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Using Berendsen pressure coupling invalidates the true ensemble for the 50: thermostat 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: 50: There was 1 warning 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 195.1 50: (ns/day) (hour/ns) 50: Performance: 325.415 0.074 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: 50: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Using Berendsen pressure coupling invalidates the true ensemble for the 50: thermostat 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: 50: There was 1 warning 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 196.4 50: (ns/day) (hour/ns) 50: Performance: 307.254 0.078 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: 50: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Using Berendsen pressure coupling invalidates the true ensemble for the 50: thermostat 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: 50: There was 1 warning 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 93 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.093 0.047 199.2 50: (ns/day) (hour/ns) 50: Performance: 31.553 0.761 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: 50: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Using Berendsen pressure coupling invalidates the true ensemble for the 50: thermostat 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: 50: There was 1 warning 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 194.6 50: (ns/day) (hour/ns) 50: Performance: 300.898 0.080 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: 50: WARNING 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Using Berendsen pressure coupling invalidates the true ensemble for the 50: thermostat 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: 50: There was 1 warning 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.011 0.006 193.9 50: (ns/day) (hour/ns) 50: Performance: 262.701 0.091 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (133 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.013 0.007 194.9 50: (ns/day) (hour/ns) 50: Performance: 212.123 0.113 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.0 50: (ns/day) (hour/ns) 50: Performance: 339.707 0.071 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 45 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 197.2 50: (ns/day) (hour/ns) 50: Performance: 291.439 0.082 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 194.8 50: (ns/day) (hour/ns) 50: Performance: 389.689 0.062 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 196.4 50: (ns/day) (hour/ns) 50: Performance: 419.302 0.057 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_input.mdp]: 50: leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 196.0 50: (ns/day) (hour/ns) 50: Performance: 487.833 0.049 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_8.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/8 (120 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 196.5 50: (ns/day) (hour/ns) 50: Performance: 325.046 0.074 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 195.8 50: (ns/day) (hour/ns) 50: Performance: 397.086 0.060 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 196.2 50: (ns/day) (hour/ns) 50: Performance: 387.690 0.062 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 196.5 50: (ns/day) (hour/ns) 50: Performance: 367.961 0.065 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.095 0.047 199.5 50: (ns/day) (hour/ns) 50: Performance: 30.940 0.776 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 45 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.017 0.008 197.7 50: (ns/day) (hour/ns) 50: Performance: 175.109 0.137 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_9.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/9 (167 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 196.5 50: (ns/day) (hour/ns) 50: Performance: 380.014 0.063 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 195.5 50: (ns/day) (hour/ns) 50: Performance: 409.206 0.059 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.9 50: (ns/day) (hour/ns) 50: Performance: 368.357 0.065 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 50 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.604 0.302 199.9 50: (ns/day) (hour/ns) 50: Performance: 4.862 4.936 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 195.9 50: (ns/day) (hour/ns) 50: Performance: 420.231 0.057 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 194.7 50: (ns/day) (hour/ns) 50: Performance: 420.231 0.057 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_10.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/10 (603 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 194.7 50: (ns/day) (hour/ns) 50: Performance: 369.373 0.065 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 38 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 194.3 50: (ns/day) (hour/ns) 50: Performance: 377.788 0.064 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.011 0.005 196.1 50: (ns/day) (hour/ns) 50: Performance: 268.435 0.089 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 196.1 50: (ns/day) (hour/ns) 50: Performance: 280.275 0.086 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 194.8 50: (ns/day) (hour/ns) 50: Performance: 354.669 0.068 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.4 50: (ns/day) (hour/ns) 50: Performance: 347.722 0.069 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_11.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/11 (132 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.1%. 50: The balanceable part of the MD step is 58%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.7%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 193.5 50: (ns/day) (hour/ns) 50: Performance: 281.460 0.085 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 6.7%. 50: The balanceable part of the MD step is 55%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.7%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 193.0 50: (ns/day) (hour/ns) 50: Performance: 309.375 0.078 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 7.0%. 50: The balanceable part of the MD step is 56%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.9%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 193.2 50: (ns/day) (hour/ns) 50: Performance: 292.943 0.082 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 5.2%. 50: The balanceable part of the MD step is 57%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 2.9%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 193.0 50: (ns/day) (hour/ns) 50: Performance: 317.712 0.076 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.5%. 50: The balanceable part of the MD step is 57%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.5%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 184.9 50: (ns/day) (hour/ns) 50: Performance: 382.479 0.063 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 6.2%. 50: The balanceable part of the MD step is 56%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.5%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 192.6 50: (ns/day) (hour/ns) 50: Performance: 286.386 0.084 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_12.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/12 (173 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was turned on during the run due to measured imbalance. 50: Average load imbalance: 5.7%. 50: The balanceable part of the MD step is 55%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.1%. 50: Steps where the load balancing was limited by -rdd, -rcon and/or -dds: X 0 % 50: 50: 50: NOTE: 37 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 194.7 50: (ns/day) (hour/ns) 50: Performance: 313.908 0.076 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 9.2%. 50: The balanceable part of the MD step is 2%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.2%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.100 0.050 199.7 50: (ns/day) (hour/ns) 50: Performance: 29.289 0.819 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.2%. 50: The balanceable part of the MD step is 54%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.6%. 50: 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 194.8 50: (ns/day) (hour/ns) 50: Performance: 383.885 0.063 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 0.7%. 50: The balanceable part of the MD step is 54%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.4%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 196.3 50: (ns/day) (hour/ns) 50: Performance: 472.076 0.051 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 0.8%. 50: The balanceable part of the MD step is 54%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.4%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 196.2 50: (ns/day) (hour/ns) 50: Performance: 500.068 0.048 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_input.mdp]: 50: NVE simulation: will use the initial temperature of 68.810 K for 50: determining the Verlet buffer size 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 68.8096 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 0.9%. 50: The balanceable part of the MD step is 54%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.5%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 195.5 50: (ns/day) (hour/ns) 50: Performance: 494.668 0.049 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_13.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/13 (111 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.112 0.056 199.3 50: (ns/day) (hour/ns) 50: Performance: 26.023 0.922 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.390 0.195 199.9 50: (ns/day) (hour/ns) 50: Performance: 7.523 3.190 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 194.5 50: (ns/day) (hour/ns) 50: Performance: 377.522 0.064 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 193.5 50: (ns/day) (hour/ns) 50: Performance: 428.727 0.056 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 193.7 50: (ns/day) (hour/ns) 50: Performance: 421.021 0.057 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 192.8 50: (ns/day) (hour/ns) 50: Performance: 445.017 0.054 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_14.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/14 (316 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 195.1 50: (ns/day) (hour/ns) 50: Performance: 275.211 0.087 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.012 0.006 195.3 50: (ns/day) (hour/ns) 50: Performance: 239.814 0.100 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 195.4 50: (ns/day) (hour/ns) 50: Performance: 277.317 0.087 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 50 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.601 0.301 199.9 50: (ns/day) (hour/ns) 50: Performance: 4.884 4.914 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 43 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 197.0 50: (ns/day) (hour/ns) 50: Performance: 378.764 0.063 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 42 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 196.7 50: (ns/day) (hour/ns) 50: Performance: 415.372 0.058 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_15.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/15 (467 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 196.8 50: (ns/day) (hour/ns) 50: Performance: 383.718 0.063 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 196.7 50: (ns/day) (hour/ns) 50: Performance: 397.099 0.060 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 196.9 50: (ns/day) (hour/ns) 50: Performance: 411.543 0.058 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.091 0.046 199.5 50: (ns/day) (hour/ns) 50: Performance: 32.044 0.749 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 47 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.021 0.011 198.5 50: (ns/day) (hour/ns) 50: Performance: 136.010 0.176 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 196.0 50: (ns/day) (hour/ns) 50: Performance: 375.246 0.064 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_16.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/16 (108 ms) 50: [ RUN ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 38 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 193.8 50: (ns/day) (hour/ns) 50: Performance: 315.015 0.076 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.106 0.053 199.4 50: (ns/day) (hour/ns) 50: Performance: 27.701 0.866 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 38 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 195.0 50: (ns/day) (hour/ns) 50: Performance: 395.938 0.061 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 37 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 196.4 50: (ns/day) (hour/ns) 50: Performance: 448.729 0.053 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 35 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.006 0.003 195.9 50: (ns/day) (hour/ns) 50: Performance: 462.907 0.052 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 1 of the 1 non-bonded parameter combinations 50: Excluding 1 bonded neighbours molecule type 'Argon' 50: Number of degrees of freedom in T-Coupling group System is 33.00 50: 50: There were 2 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 100, rlist from 0.701 to 0.734 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'Argon' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 80 K 50: Calculated rlist for 1x1 atom pair-list as 0.701 nm, buffer size 0.001 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.701 nm, buffer size 0.001 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: NOTE: 37 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.004 193.8 50: (ns/day) (hour/ns) 50: Performance: 334.025 0.072 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithCoupling_PeriodicActionsTest_PeriodicActionsAgreeWithReference_17.edr as double precision energy file 50: [ OK ] PropagatorsWithCoupling/PeriodicActionsTest.PeriodicActionsAgreeWithReference/17 (116 ms) 50: [----------] 18 tests from PropagatorsWithCoupling/PeriodicActionsTest (3535 ms total) 50: 50: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB got disabled because it was unsuitable to use. 50: Average load imbalance: 11.0%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 5.4%. 50: 50: NOTE: 5.4 % of the available CPU time was lost due to load imbalance 50: in the domain decomposition. 50: You might want to use dynamic load balancing (option -dlb.) 50: You can also consider manually changing the decomposition (option -dd); 50: e.g. by using fewer domains along the box dimension in which there is 50: considerable inhomogeneity in the simulated system. 50: 50: NOTE: 46 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.022 0.011 198.1 50: (ns/day) (hour/ns) 50: Performance: 134.075 0.179 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB got disabled because it was unsuitable to use. 50: Average load imbalance: 7.2%. 50: The balanceable part of the MD step is 52%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 3.7%. 50: 50: 50: NOTE: 49 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.087 0.044 199.7 50: (ns/day) (hour/ns) 50: Performance: 33.646 0.713 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.7%. 50: The balanceable part of the MD step is 40%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.1%. 50: 50: 50: NOTE: 39 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.011 0.005 196.6 50: (ns/day) (hour/ns) 50: Performance: 267.759 0.090 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.1%. 50: The balanceable part of the MD step is 53%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.6%. 50: 50: 50: NOTE: 36 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.003 196.3 50: (ns/day) (hour/ns) 50: Performance: 424.342 0.057 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.7%. 50: The balanceable part of the MD step is 45%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.2%. 50: 50: 50: NOTE: 37 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.004 196.2 50: (ns/day) (hour/ns) 50: Performance: 337.114 0.071 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.4%. 50: The balanceable part of the MD step is 40%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.6%. 50: 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 196.8 50: (ns/day) (hour/ns) 50: Performance: 321.216 0.075 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_0.edr as double precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/0 (4068 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.2%. 50: The balanceable part of the MD step is 46%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.0%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 196.0 50: (ns/day) (hour/ns) 50: Performance: 351.151 0.068 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.4%. 50: The balanceable part of the MD step is 50%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.7%. 50: 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 196.4 50: (ns/day) (hour/ns) 50: Performance: 294.343 0.082 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.5%. 50: The balanceable part of the MD step is 47%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.6%. 50: 50: 50: NOTE: 34 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.004 196.4 50: (ns/day) (hour/ns) 50: Performance: 338.522 0.071 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 3.1%. 50: The balanceable part of the MD step is 51%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.6%. 50: 50: 50: NOTE: 41 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.004 196.6 50: (ns/day) (hour/ns) 50: Performance: 333.293 0.072 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB got disabled because it was unsuitable to use. 50: Average load imbalance: 10.7%. 50: The balanceable part of the MD step is 49%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 5.3%. 50: 50: NOTE: 5.3 % of the available CPU time was lost due to load imbalance 50: in the domain decomposition. 50: You might want to use dynamic load balancing (option -dlb.) 50: You can also consider manually changing the decomposition (option -dd); 50: e.g. by using fewer domains along the box dimension in which there is 50: considerable inhomogeneity in the simulated system. 50: 50: NOTE: 45 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.023 0.011 197.8 50: (ns/day) (hour/ns) 50: Performance: 128.384 0.187 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 4.4%. 50: The balanceable part of the MD step is 44%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.9%. 50: 50: 50: NOTE: 40 % of the run time was spent communicating energies, 50: you might want to increase some nst* mdp options 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.6 50: (ns/day) (hour/ns) 50: Performance: 364.370 0.066 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_1.edr as double precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/1 (4786 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.061 0.031 199.3 50: (ns/day) (hour/ns) 50: Performance: 48.080 0.499 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 195.5 50: (ns/day) (hour/ns) 50: Performance: 300.649 0.080 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.013 0.007 196.9 50: (ns/day) (hour/ns) 50: Performance: 215.469 0.111 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 196.7 50: (ns/day) (hour/ns) 50: Performance: 288.573 0.083 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 195.6 50: (ns/day) (hour/ns) 50: Performance: 299.669 0.080 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.597 0.299 199.9 50: (ns/day) (hour/ns) 50: Performance: 4.917 4.881 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_2.edr as double precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/2 (4399 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.102 0.051 199.5 50: (ns/day) (hour/ns) 50: Performance: 28.634 0.838 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.004 194.6 50: (ns/day) (hour/ns) 50: Performance: 330.167 0.073 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 195.6 50: (ns/day) (hour/ns) 50: Performance: 279.646 0.086 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 197.4 50: (ns/day) (hour/ns) 50: Performance: 290.882 0.083 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.004 195.8 50: (ns/day) (hour/ns) 50: Performance: 337.225 0.071 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.404 0.202 199.9 50: (ns/day) (hour/ns) 50: Performance: 7.276 3.299 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_3.edr as double precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/3 (4604 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.590 0.295 199.9 50: (ns/day) (hour/ns) 50: Performance: 4.981 4.819 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.007 0.004 196.3 50: (ns/day) (hour/ns) 50: Performance: 387.373 0.062 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.203 0.102 199.8 50: (ns/day) (hour/ns) 50: Performance: 14.436 1.663 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.011 0.006 197.0 50: (ns/day) (hour/ns) 50: Performance: 262.354 0.091 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 195.5 50: (ns/day) (hour/ns) 50: Performance: 315.661 0.076 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.212 0.106 199.8 50: (ns/day) (hour/ns) 50: Performance: 13.841 1.734 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_4.edr as double precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/4 (4804 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.346 0.173 199.9 50: (ns/day) (hour/ns) 50: Performance: 8.475 2.832 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.013 0.007 196.5 50: (ns/day) (hour/ns) 50: Performance: 219.551 0.109 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.110 0.055 199.6 50: (ns/day) (hour/ns) 50: Performance: 26.738 0.898 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.893 0.495 180.4 50: (ns/day) (hour/ns) 50: Performance: 2.968 8.086 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 197.0 50: (ns/day) (hour/ns) 50: Performance: 281.036 0.085 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.004 195.5 50: (ns/day) (hour/ns) 50: Performance: 370.897 0.065 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_5.edr as double precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/5 (5631 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.4%. 50: The balanceable part of the MD step is 64%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.6%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.011 0.006 192.9 50: (ns/day) (hour/ns) 50: Performance: 264.494 0.091 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.2%. 50: The balanceable part of the MD step is 56%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.7%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.209 0.104 199.6 50: (ns/day) (hour/ns) 50: Performance: 14.059 1.707 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 1.3%. 50: The balanceable part of the MD step is 59%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 0.8%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.398 0.199 199.8 50: (ns/day) (hour/ns) 50: Performance: 7.365 3.259 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 4.7%. 50: The balanceable part of the MD step is 43%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 2.0%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.011 0.006 193.8 50: (ns/day) (hour/ns) 50: Performance: 254.433 0.094 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.5%. 50: The balanceable part of the MD step is 59%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.5%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.012 0.006 192.9 50: (ns/day) (hour/ns) 50: Performance: 236.346 0.102 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: NVE simulation: will use the initial temperature of 398.997 K for 50: determining the Verlet buffer size 50: 50: 50: NOTE 4 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 4 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Can not increase nstlist because an NVE ensemble is used 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 398.997 K 50: Calculated rlist for 1x1 atom pair-list as 0.774 nm, buffer size 0.074 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.769 nm, buffer size 0.069 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: 50: Dynamic load balancing report: 50: DLB was off during the run due to low measured imbalance. 50: Average load imbalance: 2.6%. 50: The balanceable part of the MD step is 58%, load imbalance is computed from this. 50: Part of the total run time spent waiting due to load imbalance: 1.5%. 50: 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 190.9 50: (ns/day) (hour/ns) 50: Performance: 271.046 0.089 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_6.edr as double precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/6 (4803 ms) 50: [ RUN ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 191.5 50: (ns/day) (hour/ns) 50: Performance: 284.245 0.084 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.009 0.005 194.2 50: (ns/day) (hour/ns) 50: Performance: 309.912 0.077 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.215 0.108 199.5 50: (ns/day) (hour/ns) 50: Performance: 13.634 1.760 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 50: Reading energy frame 0 time 0.000 Reading energy frame 0 time 0.000 Reading energy frame 1 time 0.004 Reading energy frame 1 time 0.004 Reading energy frame 2 time 0.008 Reading energy frame 2 time 0.008 Reading energy frame 3 time 0.012 Reading energy frame 3 time 0.012 Reading energy frame 4 time 0.016 Reading energy frame 4 time 0.016 Last energy frame read 4 time 0.016 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.353 0.225 156.6 50: (ns/day) (hour/ns) 50: Performance: 6.519 3.682 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.008 0.005 187.6 50: (ns/day) (hour/ns) 50: Performance: 324.601 0.074 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 50: 50: NOTE 1 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note 50: that with the Verlet scheme, nstlist has no effect on the accuracy of 50: your simulation. 50: 50: 50: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: Setting nstcalcenergy (100) equal to nstenergy (4) 50: 50: Generated 330891 of the 330891 non-bonded parameter combinations 50: Generating 1-4 interactions: fudge = 0.5 50: Generated 330891 of the 330891 1-4 parameter combinations 50: Excluding 2 bonded neighbours molecule type 'SOL' 50: Number of degrees of freedom in T-Coupling group System is 27.00 50: 50: NOTE 3 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_input.mdp]: 50: You are using a plain Coulomb cut-off, which might produce artifacts. 50: You might want to consider using PME electrostatics. 50: 50: 50: 50: There were 3 notes 50: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 50: log). 50: The current CPU can measure timings more accurately than the code in 50: mdrun-mpi-coordination-test was configured to use. This might affect your simulation 50: speed as accurate timings are needed for load-balancing. 50: Please consider rebuilding mdrun-mpi-coordination-test with the GMX_USE_RDTSCP=ON CMake option. 50: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 50: Changing nstlist from 8 to 25, rlist from 0.76 to 0.916 50: 50: 50: Using 2 MPI threads 50: Using 1 OpenMP thread per tMPI thread 50: 50: 50: NOTE: The number of threads is not equal to the number of (logical) cores 50: and the -pin option is set to auto: will not pin threads to cores. 50: This can lead to significant performance degradation. 50: Consider using -pin on (and -pinoffset in case you run multiple jobs). 50: starting mdrun 'spc2' 50: 16 steps, 0.0 ps. 50: Determining Verlet buffer for a tolerance of 1e-06 kJ/mol/ps at 298 K 50: Calculated rlist for 1x1 atom pair-list as 0.763 nm, buffer size 0.063 nm 50: Set rlist, assuming 4x4 atom pair-list, to 0.759 nm, buffer size 0.059 nm 50: Note that mdrun will redetermine rlist based on the actual pair-list setup 50: This run will generate roughly 0 Mb of data 50: 50: Writing final coordinates. 50: 50: Core t (s) Wall t (s) (%) 50: Time: 0.010 0.005 195.4 50: (ns/day) (hour/ns) 50: Performance: 284.114 0.084 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7_reference.edr as double precision energy file 50: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/programs/mdrun/tests/Testing/Temporary/PropagatorsWithConstraints_PeriodicActionsTest_PeriodicActionsAgreeWithReference_7.edr as double precision energy file 50: [ OK ] PropagatorsWithConstraints/PeriodicActionsTest.PeriodicActionsAgreeWithReference/7 (4858 ms) 50: [----------] 8 tests from PropagatorsWithConstraints/PeriodicActionsTest (37953 ms total) 50: 50: [----------] Global test environment tear-down 50: [==========] 27 tests from 3 test cases ran. (41675 ms total) 50: [ PASSED ] 27 tests. 50/54 Test #50: MdrunMpiCoordinationTestsTwoRanks ... Passed 41.69 sec test 51 Start 51: GmxapiExternalInterfaceTests 51: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/gmxapi-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/GmxapiExternalInterfaceTests.xml" 51: Test timeout computed to be: 600 51: [==========] Running 9 tests from 2 test cases. 51: [----------] Global test environment set-up. 51: [----------] 8 tests from GmxApiTest 51: [ RUN ] GmxApiTest.ApiRunnerRestrainedMD 51: Setting the LD random seed to -312607490 51: Generated 331705 of the 331705 non-bonded parameter combinations 51: Generating 1-4 interactions: fudge = 0.5 51: Generated 331705 of the 331705 1-4 parameter combinations 51: Excluding 2 bonded neighbours molecule type 'SOL' 51: Excluding 3 bonded neighbours molecule type 'methane' 51: 51: NOTE 1 [file spc_and_methane.top, line 33]: 51: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 51: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 51: the time step of 2.0e-03 ps. 51: Maybe you forgot to change the constraints mdp option. 51: 51: Number of degrees of freedom in T-Coupling group System is 18.00 51: 51: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerRestrainedMD_input.mdp]: 51: You are using a plain Coulomb cut-off, which might produce artifacts. 51: You might want to consider using PME electrostatics. 51: 51: 51: 51: There were 2 notes 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerRestrainedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 2 steps, 0.0 ps. 51: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 51: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 51: Note that mdrun will redetermine rlist based on the actual pair-list setup 51: This run will generate roughly 0 Mb of data 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.006 0.003 193.6 51: (ns/day) (hour/ns) 51: Performance: 151.076 0.159 51: [ OK ] GmxApiTest.ApiRunnerRestrainedMD (701 ms) 51: [ RUN ] GmxApiTest.SystemConstruction 51: Setting the LD random seed to -134752032 51: Generated 331705 of the 331705 non-bonded parameter combinations 51: Generating 1-4 interactions: fudge = 0.5 51: Generated 331705 of the 331705 1-4 parameter combinations 51: Excluding 2 bonded neighbours molecule type 'SOL' 51: Excluding 3 bonded neighbours molecule type 'methane' 51: 51: NOTE 1 [file spc_and_methane.top, line 33]: 51: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 51: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 51: the time step of 2.0e-03 ps. 51: Maybe you forgot to change the constraints mdp option. 51: 51: Number of degrees of freedom in T-Coupling group System is 18.00 51: 51: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_SystemConstruction_input.mdp]: 51: You are using a plain Coulomb cut-off, which might produce artifacts. 51: You might want to consider using PME electrostatics. 51: 51: 51: 51: There were 2 notes 51: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 51: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 51: Note that mdrun will redetermine rlist based on the actual pair-list setup 51: This run will generate roughly 0 Mb of data 51: [ OK ] GmxApiTest.SystemConstruction (614 ms) 51: [ RUN ] GmxApiTest.SaneVersionComparisons 51: [ OK ] GmxApiTest.SaneVersionComparisons (0 ms) 51: [ RUN ] GmxApiTest.VersionNamed0_1_Features 51: [ OK ] GmxApiTest.VersionNamed0_1_Features (0 ms) 51: [ RUN ] GmxApiTest.RunnerBasicMD 51: Setting the LD random seed to -134217774 51: Generated 331705 of the 331705 non-bonded parameter combinations 51: Generating 1-4 interactions: fudge = 0.5 51: Generated 331705 of the 331705 1-4 parameter combinations 51: Excluding 2 bonded neighbours molecule type 'SOL' 51: Excluding 3 bonded neighbours molecule type 'methane' 51: 51: NOTE 1 [file spc_and_methane.top, line 33]: 51: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 51: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 51: the time step of 2.0e-03 ps. 51: Maybe you forgot to change the constraints mdp option. 51: 51: Number of degrees of freedom in T-Coupling group System is 18.00 51: 51: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerBasicMD_input.mdp]: 51: You are using a plain Coulomb cut-off, which might produce artifacts. 51: You might want to consider using PME electrostatics. 51: 51: 51: 51: There were 2 notes 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerBasicMD.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 2 steps, 0.0 ps. 51: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 51: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 51: Note that mdrun will redetermine rlist based on the actual pair-list setup 51: This run will generate roughly 0 Mb of data 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 1.202 0.601 200.0 51: (ns/day) (hour/ns) 51: Performance: 0.842 28.508 51: [ OK ] GmxApiTest.RunnerBasicMD (1869 ms) 51: [ RUN ] GmxApiTest.RunnerReinitialize 51: Setting the LD random seed to -1124698643 51: Generated 331705 of the 331705 non-bonded parameter combinations 51: Generating 1-4 interactions: fudge = 0.5 51: Generated 331705 of the 331705 1-4 parameter combinations 51: Excluding 2 bonded neighbours molecule type 'SOL' 51: Excluding 3 bonded neighbours molecule type 'methane' 51: 51: NOTE 1 [file spc_and_methane.top, line 33]: 51: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 51: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 51: the time step of 2.0e-03 ps. 51: Maybe you forgot to change the constraints mdp option. 51: 51: Number of degrees of freedom in T-Coupling group System is 18.00 51: 51: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize_input.mdp]: 51: You are using a plain Coulomb cut-off, which might produce artifacts. 51: You might want to consider using PME electrostatics. 51: 51: 51: 51: There were 2 notes 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 20 steps, 0.0 ps. 51: 51: 51: Received the remote INT/TERM signal, stopping within 50 steps 51: 51: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 51: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 51: Note that mdrun will redetermine rlist based on the actual pair-list setup 51: This run will generate roughly 0 Mb of data 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.230 0.115 199.6 51: (ns/day) (hour/ns) 51: Performance: 30.714 0.781 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 20 steps, 0.0 ps. 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.010 0.005 195.4 51: (ns/day) (hour/ns) 51: Performance: 669.801 0.036 51: [ OK ] GmxApiTest.RunnerReinitialize (1026 ms) 51: [ RUN ] GmxApiTest.RunnerContinuedMD 51: Setting the LD random seed to -1367481633 51: Generated 331705 of the 331705 non-bonded parameter combinations 51: Generating 1-4 interactions: fudge = 0.5 51: Generated 331705 of the 331705 1-4 parameter combinations 51: Excluding 2 bonded neighbours molecule type 'SOL' 51: Excluding 3 bonded neighbours molecule type 'methane' 51: 51: NOTE 1 [file spc_and_methane.top, line 33]: 51: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 51: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 51: the time step of 2.0e-03 ps. 51: Maybe you forgot to change the constraints mdp option. 51: 51: Number of degrees of freedom in T-Coupling group System is 18.00 51: 51: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD_input.mdp]: 51: You are using a plain Coulomb cut-off, which might produce artifacts. 51: You might want to consider using PME electrostatics. 51: 51: 51: 51: There were 2 notes 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 10 steps, 0.0 ps. 51: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 51: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 51: Note that mdrun will redetermine rlist based on the actual pair-list setup 51: This run will generate roughly 0 Mb of data 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.402 0.201 199.9 51: (ns/day) (hour/ns) 51: Performance: 9.238 2.598 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 51: 51: Overriding nsteps with value passed on the command line: 20 steps, 0.0391 ps 51: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 20 steps, 0.0 ps. 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.009 0.005 197.3 51: (ns/day) (hour/ns) 51: Performance: 737.646 0.033 51: [ OK ] GmxApiTest.RunnerContinuedMD (1182 ms) 51: [ RUN ] GmxApiTest.ApiRunnerStopSignalClient 51: Setting the LD random seed to -1166940161 51: Generated 331705 of the 331705 non-bonded parameter combinations 51: Generating 1-4 interactions: fudge = 0.5 51: Generated 331705 of the 331705 1-4 parameter combinations 51: Excluding 2 bonded neighbours molecule type 'SOL' 51: Excluding 3 bonded neighbours molecule type 'methane' 51: 51: NOTE 1 [file spc_and_methane.top, line 33]: 51: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 51: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 51: the time step of 2.0e-03 ps. 51: Maybe you forgot to change the constraints mdp option. 51: 51: Number of degrees of freedom in T-Coupling group System is 18.00 51: 51: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient_input.mdp]: 51: You are using a plain Coulomb cut-off, which might produce artifacts. 51: You might want to consider using PME electrostatics. 51: 51: 51: 51: There were 2 notes 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 51: Changing nstlist from 10 to 1, rlist from 1.041 to 1 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 1 steps, 0.0 ps. 51: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 51: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 51: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 51: Note that mdrun will redetermine rlist based on the actual pair-list setup 51: This run will generate roughly 0 Mb of data 51: 51: Writing final coordinates. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.009 0.004 196.8 51: (ns/day) (hour/ns) 51: Performance: 76.049 0.316 51: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 51: log). 51: The current CPU can measure timings more accurately than the code in 51: gmxapi-test was configured to use. This might affect your simulation 51: speed as accurate timings are needed for load-balancing. 51: Please consider rebuilding gmxapi-test with the GMX_USE_RDTSCP=ON CMake option. 51: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 51: 51: Overriding nsteps with value passed on the command line: 2 steps, 0.00391 ps 51: Changing nstlist from 10 to 1, rlist from 1.041 to 1 51: 51: 51: Using 1 MPI thread 51: 51: Non-default thread affinity set, disabling internal thread affinity 51: 51: Using 2 OpenMP threads 51: 51: starting mdrun 'Water and methane' 51: 2 steps, 0.0 ps. 51: 51: Core t (s) Wall t (s) (%) 51: Time: 0.006 0.003 196.0 51: (ns/day) (hour/ns) 51: Performance: 117.271 0.205 51: [ OK ] GmxApiTest.ApiRunnerStopSignalClient (620 ms) 51: [----------] 8 tests from GmxApiTest (6012 ms total) 51: 51: [----------] 1 test from GmxApiBasicTest 51: [ RUN ] GmxApiBasicTest.Status 51: [ OK ] GmxApiBasicTest.Status (0 ms) 51: [----------] 1 test from GmxApiBasicTest (0 ms total) 51: 51: [----------] Global test environment tear-down 51: [==========] 9 tests from 2 test cases ran. (6012 ms total) 51: [ PASSED ] 9 tests. 51/54 Test #51: GmxapiExternalInterfaceTests ........ Passed 6.09 sec test 52 Start 52: GmxapiMpiTests 52: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/gmxapi-mpi-test "-ntomp" "2" "-ntmpi" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/GmxapiMpiTests.xml" 52: Test timeout computed to be: 600 52: [==========] Running 9 tests from 2 test cases. 52: [----------] Global test environment set-up. 52: [----------] 8 tests from GmxApiTest 52: [ RUN ] GmxApiTest.ApiRunnerRestrainedMD 52: Setting the LD random seed to -1645813777 52: Generated 331705 of the 331705 non-bonded parameter combinations 52: Generating 1-4 interactions: fudge = 0.5 52: Generated 331705 of the 331705 1-4 parameter combinations 52: Excluding 2 bonded neighbours molecule type 'SOL' 52: Excluding 3 bonded neighbours molecule type 'methane' 52: 52: NOTE 1 [file spc_and_methane.top, line 33]: 52: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 52: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 52: the time step of 2.0e-03 ps. 52: Maybe you forgot to change the constraints mdp option. 52: 52: Number of degrees of freedom in T-Coupling group System is 18.00 52: 52: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerRestrainedMD_input.mdp]: 52: You are using a plain Coulomb cut-off, which might produce artifacts. 52: You might want to consider using PME electrostatics. 52: 52: 52: 52: There were 2 notes 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerRestrainedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 2 steps, 0.0 ps. 52: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 52: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 52: Note that mdrun will redetermine rlist based on the actual pair-list setup 52: This run will generate roughly 0 Mb of data 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.008 0.004 196.2 52: (ns/day) (hour/ns) 52: Performance: 117.651 0.204 52: [ OK ] GmxApiTest.ApiRunnerRestrainedMD (793 ms) 52: [ RUN ] GmxApiTest.SystemConstruction 52: Setting the LD random seed to -9178129 52: Generated 331705 of the 331705 non-bonded parameter combinations 52: Generating 1-4 interactions: fudge = 0.5 52: Generated 331705 of the 331705 1-4 parameter combinations 52: Excluding 2 bonded neighbours molecule type 'SOL' 52: Excluding 3 bonded neighbours molecule type 'methane' 52: 52: NOTE 1 [file spc_and_methane.top, line 33]: 52: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 52: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 52: the time step of 2.0e-03 ps. 52: Maybe you forgot to change the constraints mdp option. 52: 52: Number of degrees of freedom in T-Coupling group System is 18.00 52: 52: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_SystemConstruction_input.mdp]: 52: You are using a plain Coulomb cut-off, which might produce artifacts. 52: You might want to consider using PME electrostatics. 52: 52: 52: 52: There were 2 notes 52: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 52: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 52: Note that mdrun will redetermine rlist based on the actual pair-list setup 52: This run will generate roughly 0 Mb of data 52: [ OK ] GmxApiTest.SystemConstruction (793 ms) 52: [ RUN ] GmxApiTest.SaneVersionComparisons 52: [ OK ] GmxApiTest.SaneVersionComparisons (0 ms) 52: [ RUN ] GmxApiTest.VersionNamed0_1_Features 52: [ OK ] GmxApiTest.VersionNamed0_1_Features (0 ms) 52: [ RUN ] GmxApiTest.RunnerBasicMD 52: Setting the LD random seed to -335773698 52: Generated 331705 of the 331705 non-bonded parameter combinations 52: Generating 1-4 interactions: fudge = 0.5 52: Generated 331705 of the 331705 1-4 parameter combinations 52: Excluding 2 bonded neighbours molecule type 'SOL' 52: Excluding 3 bonded neighbours molecule type 'methane' 52: 52: NOTE 1 [file spc_and_methane.top, line 33]: 52: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 52: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 52: the time step of 2.0e-03 ps. 52: Maybe you forgot to change the constraints mdp option. 52: 52: Number of degrees of freedom in T-Coupling group System is 18.00 52: 52: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerBasicMD_input.mdp]: 52: You are using a plain Coulomb cut-off, which might produce artifacts. 52: You might want to consider using PME electrostatics. 52: 52: 52: 52: There were 2 notes 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerBasicMD.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 2 steps, 0.0 ps. 52: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 52: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 52: Note that mdrun will redetermine rlist based on the actual pair-list setup 52: This run will generate roughly 0 Mb of data 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.011 0.006 195.8 52: (ns/day) (hour/ns) 52: Performance: 87.263 0.275 52: [ OK ] GmxApiTest.RunnerBasicMD (854 ms) 52: [ RUN ] GmxApiTest.RunnerReinitialize 52: Setting the LD random seed to -50381877 52: Generated 331705 of the 331705 non-bonded parameter combinations 52: Generating 1-4 interactions: fudge = 0.5 52: Generated 331705 of the 331705 1-4 parameter combinations 52: Excluding 2 bonded neighbours molecule type 'SOL' 52: Excluding 3 bonded neighbours molecule type 'methane' 52: 52: NOTE 1 [file spc_and_methane.top, line 33]: 52: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 52: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 52: the time step of 2.0e-03 ps. 52: Maybe you forgot to change the constraints mdp option. 52: 52: Number of degrees of freedom in T-Coupling group System is 18.00 52: 52: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize_input.mdp]: 52: You are using a plain Coulomb cut-off, which might produce artifacts. 52: You might want to consider using PME electrostatics. 52: 52: 52: 52: There were 2 notes 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 20 steps, 0.0 ps. 52: 52: 52: Received the remote INT/TERM signal, stopping within 50 steps 52: 52: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 52: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 52: Note that mdrun will redetermine rlist based on the actual pair-list setup 52: This run will generate roughly 0 Mb of data 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.017 0.008 197.9 52: (ns/day) (hour/ns) 52: Performance: 422.897 0.057 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerReinitialize.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 20 steps, 0.0 ps. 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.064 0.032 199.4 52: (ns/day) (hour/ns) 52: Performance: 110.138 0.218 52: [ OK ] GmxApiTest.RunnerReinitialize (656 ms) 52: [ RUN ] GmxApiTest.RunnerContinuedMD 52: Setting the LD random seed to -1126195377 52: Generated 331705 of the 331705 non-bonded parameter combinations 52: Generating 1-4 interactions: fudge = 0.5 52: Generated 331705 of the 331705 1-4 parameter combinations 52: Excluding 2 bonded neighbours molecule type 'SOL' 52: Excluding 3 bonded neighbours molecule type 'methane' 52: 52: NOTE 1 [file spc_and_methane.top, line 33]: 52: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 52: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 52: the time step of 2.0e-03 ps. 52: Maybe you forgot to change the constraints mdp option. 52: 52: Number of degrees of freedom in T-Coupling group System is 18.00 52: 52: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD_input.mdp]: 52: You are using a plain Coulomb cut-off, which might produce artifacts. 52: You might want to consider using PME electrostatics. 52: 52: 52: 52: There were 2 notes 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 10 steps, 0.0 ps. 52: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 52: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 52: Note that mdrun will redetermine rlist based on the actual pair-list setup 52: This run will generate roughly 0 Mb of data 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.206 0.103 199.8 52: (ns/day) (hour/ns) 52: Performance: 18.006 1.333 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_RunnerContinuedMD.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 52: 52: Overriding nsteps with value passed on the command line: 20 steps, 0.0391 ps 52: Changing nstlist from 10 to 50, rlist from 1.041 to 1.309 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 20 steps, 0.0 ps. 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.010 0.005 193.7 52: (ns/day) (hour/ns) 52: Performance: 663.878 0.036 52: [ OK ] GmxApiTest.RunnerContinuedMD (905 ms) 52: [ RUN ] GmxApiTest.ApiRunnerStopSignalClient 52: Setting the LD random seed to -2239493 52: Generated 331705 of the 331705 non-bonded parameter combinations 52: Generating 1-4 interactions: fudge = 0.5 52: Generated 331705 of the 331705 1-4 parameter combinations 52: Excluding 2 bonded neighbours molecule type 'SOL' 52: Excluding 3 bonded neighbours molecule type 'methane' 52: 52: NOTE 1 [file spc_and_methane.top, line 33]: 52: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 52: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 52: the time step of 2.0e-03 ps. 52: Maybe you forgot to change the constraints mdp option. 52: 52: Number of degrees of freedom in T-Coupling group System is 18.00 52: 52: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient_input.mdp]: 52: You are using a plain Coulomb cut-off, which might produce artifacts. 52: You might want to consider using PME electrostatics. 52: 52: 52: 52: There were 2 notes 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 52: Changing nstlist from 10 to 1, rlist from 1.041 to 1 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 1 steps, 0.0 ps. 52: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 52: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 52: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 52: Note that mdrun will redetermine rlist based on the actual pair-list setup 52: This run will generate roughly 0 Mb of data 52: 52: Writing final coordinates. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.007 0.003 195.9 52: (ns/day) (hour/ns) 52: Performance: 98.324 0.244 52: Compiled SIMD: SSE4.1, but for this host/run AVX_256 might be better (see 52: log). 52: The current CPU can measure timings more accurately than the code in 52: gmxapi-mpi-test was configured to use. This might affect your simulation 52: speed as accurate timings are needed for load-balancing. 52: Please consider rebuilding gmxapi-mpi-test with the GMX_USE_RDTSCP=ON CMake option. 52: Reading file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/tests/Testing/Temporary/GmxApiTest_ApiRunnerStopSignalClient.tpr, VERSION 2020.6-Debian-2020.6-2 (double precision) 52: 52: Overriding nsteps with value passed on the command line: 2 steps, 0.00391 ps 52: Changing nstlist from 10 to 1, rlist from 1.041 to 1 52: 52: 52: Using 1 MPI thread 52: 52: Non-default thread affinity set, disabling internal thread affinity 52: 52: Using 2 OpenMP threads 52: 52: starting mdrun 'Water and methane' 52: 2 steps, 0.0 ps. 52: 52: Core t (s) Wall t (s) (%) 52: Time: 0.006 0.003 195.8 52: (ns/day) (hour/ns) 52: Performance: 105.271 0.228 52: [ OK ] GmxApiTest.ApiRunnerStopSignalClient (626 ms) 52: [----------] 8 tests from GmxApiTest (4628 ms total) 52: 52: [----------] 1 test from GmxApiBasicTest 52: [ RUN ] GmxApiBasicTest.Status 52: [ OK ] GmxApiBasicTest.Status (0 ms) 52: [----------] 1 test from GmxApiBasicTest (0 ms total) 52: 52: [----------] Global test environment tear-down 52: [==========] 9 tests from 2 test cases ran. (4628 ms total) 52: [ PASSED ] 9 tests. 52/54 Test #52: GmxapiMpiTests ...................... Passed 4.67 sec test 53 Start 53: GmxapiInternalInterfaceTests 53: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/workflow-details-test "-ntomp" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/GmxapiInternalInterfaceTests.xml" 53: Test timeout computed to be: 600 53: [==========] Running 2 tests from 1 test case. 53: [----------] Global test environment set-up. 53: [----------] 2 tests from GmxApiTest 53: [ RUN ] GmxApiTest.BuildApiWorkflowImpl 53: Setting the LD random seed to 2146365391 53: Generated 331705 of the 331705 non-bonded parameter combinations 53: Generating 1-4 interactions: fudge = 0.5 53: Generated 331705 of the 331705 1-4 parameter combinations 53: Excluding 2 bonded neighbours molecule type 'SOL' 53: Excluding 3 bonded neighbours molecule type 'methane' 53: 53: NOTE 1 [file spc_and_methane.top, line 33]: 53: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 53: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 53: the time step of 2.0e-03 ps. 53: Maybe you forgot to change the constraints mdp option. 53: 53: Number of degrees of freedom in T-Coupling group System is 18.00 53: 53: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/Testing/Temporary/GmxApiTest_BuildApiWorkflowImpl_input.mdp]: 53: You are using a plain Coulomb cut-off, which might produce artifacts. 53: You might want to consider using PME electrostatics. 53: 53: 53: 53: There were 2 notes 53: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 53: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 53: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 53: Note that mdrun will redetermine rlist based on the actual pair-list setup 53: This run will generate roughly 0 Mb of data 53: [ OK ] GmxApiTest.BuildApiWorkflowImpl (904 ms) 53: [ RUN ] GmxApiTest.CreateApiWorkflow 53: Setting the LD random seed to -1562530883 53: Generated 331705 of the 331705 non-bonded parameter combinations 53: Generating 1-4 interactions: fudge = 0.5 53: Generated 331705 of the 331705 1-4 parameter combinations 53: Excluding 2 bonded neighbours molecule type 'SOL' 53: Excluding 3 bonded neighbours molecule type 'methane' 53: 53: NOTE 1 [file spc_and_methane.top, line 33]: 53: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 53: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 53: the time step of 2.0e-03 ps. 53: Maybe you forgot to change the constraints mdp option. 53: 53: Number of degrees of freedom in T-Coupling group System is 18.00 53: 53: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/Testing/Temporary/GmxApiTest_CreateApiWorkflow_input.mdp]: 53: You are using a plain Coulomb cut-off, which might produce artifacts. 53: You might want to consider using PME electrostatics. 53: 53: 53: 53: There were 2 notes 53: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 53: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 53: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 53: Note that mdrun will redetermine rlist based on the actual pair-list setup 53: This run will generate roughly 0 Mb of data 53: [ OK ] GmxApiTest.CreateApiWorkflow (682 ms) 53: [----------] 2 tests from GmxApiTest (1586 ms total) 53: 53: [----------] Global test environment tear-down 53: [==========] 2 tests from 1 test case ran. (1586 ms total) 53: [ PASSED ] 2 tests. 53/54 Test #53: GmxapiInternalInterfaceTests ........ Passed 1.84 sec test 54 Start 54: GmxapiInternalsMpiTests 54: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/bin/workflow-details-mpi-test "-ntomp" "2" "-ntmpi" "2" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/Testing/Temporary/GmxapiInternalsMpiTests.xml" 54: Test timeout computed to be: 600 54: [==========] Running 2 tests from 1 test case. 54: [----------] Global test environment set-up. 54: [----------] 2 tests from GmxApiTest 54: [ RUN ] GmxApiTest.BuildApiWorkflowImpl 54: Setting the LD random seed to -1614808801 54: Generated 331705 of the 331705 non-bonded parameter combinations 54: Generating 1-4 interactions: fudge = 0.5 54: Generated 331705 of the 331705 1-4 parameter combinations 54: Excluding 2 bonded neighbours molecule type 'SOL' 54: Excluding 3 bonded neighbours molecule type 'methane' 54: 54: NOTE 1 [file spc_and_methane.top, line 33]: 54: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 54: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 54: the time step of 2.0e-03 ps. 54: Maybe you forgot to change the constraints mdp option. 54: 54: Number of degrees of freedom in T-Coupling group System is 18.00 54: 54: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/Testing/Temporary/GmxApiTest_BuildApiWorkflowImpl_input.mdp]: 54: You are using a plain Coulomb cut-off, which might produce artifacts. 54: You might want to consider using PME electrostatics. 54: 54: 54: 54: There were 2 notes 54: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 54: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 54: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 54: Note that mdrun will redetermine rlist based on the actual pair-list setup 54: This run will generate roughly 0 Mb of data 54: [ OK ] GmxApiTest.BuildApiWorkflowImpl (814 ms) 54: [ RUN ] GmxApiTest.CreateApiWorkflow 54: Setting the LD random seed to -1228042881 54: Generated 331705 of the 331705 non-bonded parameter combinations 54: Generating 1-4 interactions: fudge = 0.5 54: Generated 331705 of the 331705 1-4 parameter combinations 54: Excluding 2 bonded neighbours molecule type 'SOL' 54: Excluding 3 bonded neighbours molecule type 'methane' 54: 54: NOTE 1 [file spc_and_methane.top, line 33]: 54: The bond in molecule-type methane between atoms 1 C and 2 H1 has an 54: estimated oscillational period of 1.1e-02 ps, which is less than 10 times 54: the time step of 2.0e-03 ps. 54: Maybe you forgot to change the constraints mdp option. 54: 54: Number of degrees of freedom in T-Coupling group System is 18.00 54: 54: NOTE 2 [file /build/gromacs-lj8Hdg/gromacs-2020.6/build/basic-dp/src/api/cpp/workflow/tests/Testing/Temporary/GmxApiTest_CreateApiWorkflow_input.mdp]: 54: You are using a plain Coulomb cut-off, which might produce artifacts. 54: You might want to consider using PME electrostatics. 54: 54: 54: 54: There were 2 notes 54: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 298 K 54: Calculated rlist for 1x1 atom pair-list as 1.041 nm, buffer size 0.041 nm 54: Set rlist, assuming 4x4 atom pair-list, to 1.041 nm, buffer size 0.041 nm 54: Note that mdrun will redetermine rlist based on the actual pair-list setup 54: This run will generate roughly 0 Mb of data 54: [ OK ] GmxApiTest.CreateApiWorkflow (578 ms) 54: [----------] 2 tests from GmxApiTest (1392 ms total) 54: 54: [----------] Global test environment tear-down 54: [==========] 2 tests from 1 test case ran. (1393 ms total) 54: [ PASSED ] 2 tests. 54/54 Test #54: GmxapiInternalsMpiTests ............. Passed 1.41 sec 100% tests passed, 0 tests failed out of 54 Label Time Summary: GTest = 167.29 sec*proc (54 tests) IntegrationTest = 56.65 sec*proc (12 tests) MpiTest = 93.26 sec*proc (8 tests) SlowTest = 80.87 sec*proc (2 tests) UnitTest = 29.77 sec*proc (40 tests) Total Test time (real) = 167.87 sec touch build-basic dh_testdir /usr/bin/make -j4 -C build/mpich make[1]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/CMakeFiles /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich//CMakeFiles/progress.marks /usr/bin/make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/CMakeFiles/release-version-info.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color= Scanning dependencies of target release-version-info make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color= make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/gromacs-lj8Hdg/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 0%] Built target release-version-info Scanning dependencies of target lmfit_objlib /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build Scanning dependencies of target scanner make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parser.cpp make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color= Scanning dependencies of target thread_mpi make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit/lmmin.cpp Scanning dependencies of target tng_io_obj make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/lock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/pthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/system_error.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 1%] Built target thread_mpi /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 1%] Built target lmfit_objlib make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color= /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/coder.c make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color= Scanning dependencies of target linearalgebra make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp Scanning dependencies of target modularsimulator make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/dict.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffman.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/merge_sort.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/mtf.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/rle.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/tng_compress.c make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 1%] Built target scanner cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/vals16.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/warnmalloc.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun_objlib make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/mdrun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/widemuldiv.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc2.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 1%] Built target linearalgebra cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 2%] Built target mdrun_objlib cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/md5.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/shellfcelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/signallers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/signallers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/statepropagatordata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/topologyholder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/topologyholder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/trajectoryelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/vrescalethermostat.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 5%] Built target tng_io_obj make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 8%] Built target modularsimulator /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/cmake -D VERSION_VARIABLES=/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/VersionInfo.cmake -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion-gen.cpp.cmakein -D VERSION_OUT=utility/baseversion-gen.cpp -D GMX_SOURCE_DOI= -D GMX_RELEASE_HASH= -D GMX_SOURCE_HASH= -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxConfigureVersionInfo.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/cmake -E touch utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color= Scanning dependencies of target libgromacs make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/alignedallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/any.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/any.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/basenetwork.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/binaryinformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/coolstuff.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/cstringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/datafilefinder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/directoryenumerator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorcodes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/exceptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fatalerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fileredirector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/filestream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/futil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/futil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxassert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxomp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/ikeyvaluetreeerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/init.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/init.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/inmemoryserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/int64_to_int.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreemdpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreeserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreetransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/logger.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/logger.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/loggerbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/messagestringcollector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/mpiinplacebuffers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/niceheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/path.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/path.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/physicalnodecommunicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/pleasecite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/programcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/smalloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strconvert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strdb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringstream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/sysinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/txtdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/atomdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_system.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/gridset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernel_common.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_gpu_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_geometry.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist_tuning.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/prunekerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineinit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineoptionsmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineprogramcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/filenm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/pargs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/shellcompletions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/viewit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/atomdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/box.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/box.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/cellsizes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/collect.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/distribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlbtiming.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_constraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_specatomcomm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/ga2la.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/gpuhaloexchange_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/mdsetup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/partition.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/utility.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/3dtransforms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/coordinatetransformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfittingforce.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/do_fit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/exponentialmovingaverage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/functions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/functions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/gausstransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/invertmatrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/units.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/units.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/veccompare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/vecdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/df_history.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/group.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/iforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-class-memaccess -o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/inputrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/md_enums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/observableshistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helptopic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpwritercontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/rstparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/boxutilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/mshift.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc_simd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcenums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcmethods.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/rmpbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/random/seed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/seed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tabulatednormaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/cubicsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/forcetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/quadraticsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/splineutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/cyclecounter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/wallcycle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/walltime_accounting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomprop.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomsbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/block.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/block.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/exclusionblocks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/forcefieldparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/idef.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/idef.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/ifunc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/index.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/index.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/invblock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/mtop_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/residuetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/symtab.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topsort.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/swap/swapcoords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/essentialdynamics/edsam.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/output.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/output.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull_rotation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pullutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/awh.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/awh.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/bias.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/bias.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biassharing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biaswriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/coordstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationhistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationtensor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/histogramsize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/pointstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/read_params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/simd/support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/support.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imdsocket.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/conformation_utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nrnb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/boxdeformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/broadcaststructs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calc_verletbuf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcmu.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcvir.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/checkpointhandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/compute_io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constraintrange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/coupling.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/dispersioncorrection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/ebin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/enerdata_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/energyoutput.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/force.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/gmx_omp_nthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/groupcoord.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/lincs.cpp /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp: In function ‘void __static_initialization_and_destruction_0(int, int)’: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp:103:16: warning: ignoring return value of ‘char* getenv(const char*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 103 | (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~ cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/md_support.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdatoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdebin_bar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdoutf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/membed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/nsgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/perf_est.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gamess.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gaussian.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_mopac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_orca.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qmmm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rbin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/resethandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rf_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/settle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/shake.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sighandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sim_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/simulationsignal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/splitter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stophandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tgroup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/trajectory_writing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update_constrain_cuda_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroups.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroupscog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vcm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/wall.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfitting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingamplitudelookup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoutputprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/electricfield.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/bonded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/disre.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/gpubonded_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_forces.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/manage_threading.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/orires.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/pairs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/position_restraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/restcbt.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/calculate_spline_moduli.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/long_range_correction.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gather.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_load_balancing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp.cpp /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp: In function ‘void __static_initialization_and_destruction_0(int, int)’: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp:104:16: warning: ignoring return value of ‘char* getenv(const char*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 104 | (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~ cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_solve.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spline_work.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spread.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp_comm_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_force_sender_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/calcgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft5d.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/parallel_3dfft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft_fftw3.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/clfftinitializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/hostallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_testutils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/cpuinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/detecthardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/gpu_hw_info.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/hardwaretopology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/printhardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/identifyavx512fmaunits.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacymdrunoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacysimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/md.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mdmodules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mimic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/minimize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/replicaexchange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/rerun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/runner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/shellfc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/simulationcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/tpi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/handlerestart.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/logging.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/multisim.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/printtime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/threadaffinity.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/basicoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/behaviorcollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/options.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/options.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsassigner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsvisitor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/timeunitmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/treesupport.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/manager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/restraintmdmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidegpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidesimulationworkload.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/findallgputasks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/reportgpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/resourcedivision.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/taskassignment.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/usergpuids.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/energyframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/trajectoryframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/communicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/checkpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/confio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/enxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/espio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/filetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/g96io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmx_internal_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/groio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/libxdrf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/matio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/md5.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymapheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mtxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/oenv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/pdbio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/readinp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/timecontrol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tngio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tpxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trrio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/vmdio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/warninp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/writeps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xdrd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xtcio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xvgr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/centerofmass.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/compiler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/evaluate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/indexutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/mempool.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/nbsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parsetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/poscalc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectioncollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionbehavior.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selelem.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selhelp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selmethod.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selvalue.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_distance.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_insolidangle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_keywords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_merge.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_permute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_same.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_simple.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/symrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/cmake -P CMakeFiles/libgromacs.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgromacs.dir/link.txt --verbose=1 /usr/bin/ar qc ../../lib/libgromacs_mdrun_mpi.mpich.a CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o CMakeFiles/libgromacs.dir/utility/any.cpp.o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o CMakeFiles/libgromacs.dir/utility/compare.cpp.o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o CMakeFiles/libgromacs.dir/utility/futil.cpp.o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o CMakeFiles/libgromacs.dir/utility/init.cpp.o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o CMakeFiles/libgromacs.dir/utility/logger.cpp.o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o CMakeFiles/libgromacs.dir/utility/path.cpp.o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o CMakeFiles/libgromacs.dir/domdec/box.cpp.o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o CMakeFiles/libgromacs.dir/math/functions.cpp.o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o CMakeFiles/libgromacs.dir/math/units.cpp.o CMakeFiles/libgromacs.dir/math/utilities.cpp.o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o CMakeFiles/libgromacs.dir/random/seed.cpp.o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o CMakeFiles/libgromacs.dir/topology/block.cpp.o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o CMakeFiles/libgromacs.dir/topology/idef.cpp.o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o CMakeFiles/libgromacs.dir/topology/index.cpp.o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o CMakeFiles/libgromacs.dir/topology/topology.cpp.o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o CMakeFiles/libgromacs.dir/pulling/output.cpp.o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o CMakeFiles/libgromacs.dir/awh/awh.cpp.o CMakeFiles/libgromacs.dir/awh/bias.cpp.o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o CMakeFiles/libgromacs.dir/awh/grid.cpp.o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o CMakeFiles/libgromacs.dir/simd/support.cpp.o CMakeFiles/libgromacs.dir/imd/imd.cpp.o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o CMakeFiles/libgromacs.dir/fft/fft.cpp.o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o CMakeFiles/libgromacs.dir/options/options.cpp.o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o CMakeFiles/libgromacs.dir/selection/params.cpp.o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o CMakeFiles/libgromacs.dir/selection/position.cpp.o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o CMakeFiles/libgromacs.dir/selection/selection.cpp.o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/matrix.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/nrjac.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/constraintelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/domdechelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/energyelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/forceelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/propagator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/signallers.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/topologyholder.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o selection/CMakeFiles/scanner.dir/parser.cpp.o selection/CMakeFiles/scanner.dir/scanner.cpp.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o /usr/bin/ranlib ../../lib/libgromacs_mdrun_mpi.mpich.a make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [100%] Built target libgromacs /usr/bin/make -f src/programs/CMakeFiles/mdrun.dir/build.make src/programs/CMakeFiles/mdrun.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/programs/CMakeFiles/mdrun.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/programs/CMakeFiles/mdrun.dir/build.make src/programs/CMakeFiles/mdrun.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun.dir/mdrun_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/programs && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun.dir/mdrun_main.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../bin/mdrun_mpi.mpich ../../lib/libgromacs_mdrun_mpi.mpich.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lpthread -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [100%] Built target mdrun make[2]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/CMakeFiles 0 make[1]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -j4 -C build/mpich-dp make[1]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/CMakeFiles /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp//CMakeFiles/progress.marks /usr/bin/make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/CMakeFiles/release-version-info.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color= Scanning dependencies of target release-version-info make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/gromacs-lj8Hdg/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake Scanning dependencies of target lmfit_objlib make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit/lmmin.cpp [ 0%] Built target release-version-info /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend Scanning dependencies of target scanner make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/selection && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parser.cpp make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color= Scanning dependencies of target thread_mpi make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp Scanning dependencies of target tng_io_obj make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/lock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/pthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/system_error.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' [ 1%] Built target thread_mpi /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color= Scanning dependencies of target linearalgebra make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' [ 1%] Built target lmfit_objlib cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/coder.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/dict.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/selection && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffman.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/merge_sort.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/mtf.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/rle.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/tng_compress.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/vals16.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/warnmalloc.c /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color= Scanning dependencies of target modularsimulator make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' [ 1%] Built target scanner cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/widemuldiv.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc2.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp Scanning dependencies of target mdrun_objlib make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/mdrun.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' [ 1%] Built target linearalgebra cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' [ 2%] Built target mdrun_objlib cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicc.mpich -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/md5.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/shellfcelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/signallers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/signallers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/statepropagatordata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/topologyholder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/topologyholder.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' [ 5%] Built target tng_io_obj cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/trajectoryelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/vrescalethermostat.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' [ 8%] Built target modularsimulator /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/cmake -D VERSION_VARIABLES=/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/VersionInfo.cmake -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion-gen.cpp.cmakein -D VERSION_OUT=utility/baseversion-gen.cpp -D GMX_SOURCE_DOI= -D GMX_RELEASE_HASH= -D GMX_SOURCE_HASH= -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxConfigureVersionInfo.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/cmake -E touch utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color= Scanning dependencies of target libgromacs make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/alignedallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/any.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/any.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/basenetwork.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/binaryinformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/coolstuff.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/cstringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/datafilefinder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/directoryenumerator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorcodes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/exceptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fatalerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fileredirector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/filestream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/futil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/futil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxassert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxomp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/ikeyvaluetreeerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/init.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/init.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/inmemoryserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/int64_to_int.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreemdpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreeserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreetransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/logger.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/logger.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/loggerbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/messagestringcollector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/mpiinplacebuffers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/niceheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/path.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/path.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/physicalnodecommunicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/pleasecite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/programcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/smalloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strconvert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strdb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringstream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/sysinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/txtdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/atomdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_system.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/gridset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernel_common.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_gpu_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_geometry.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist_tuning.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/prunekerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineinit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineoptionsmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineprogramcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/filenm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/pargs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/shellcompletions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/viewit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/atomdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/box.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/box.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/cellsizes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/collect.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/distribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlbtiming.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_constraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_specatomcomm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/ga2la.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/gpuhaloexchange_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/mdsetup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/partition.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/utility.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/3dtransforms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/coordinatetransformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfittingforce.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/do_fit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/exponentialmovingaverage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/functions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/functions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/gausstransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/invertmatrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/units.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/units.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/veccompare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/vecdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/df_history.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/group.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/iforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-class-memaccess -o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/inputrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/md_enums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/observableshistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helptopic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpwritercontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/rstparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/boxutilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/mshift.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc_simd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcenums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcmethods.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/rmpbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/random/seed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/seed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tabulatednormaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/cubicsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/forcetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/quadraticsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/splineutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/cyclecounter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/wallcycle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/walltime_accounting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomprop.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomsbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/block.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/block.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/exclusionblocks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/forcefieldparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/idef.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/idef.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/ifunc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/index.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/index.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/invblock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/mtop_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/residuetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/symtab.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topsort.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/swap/swapcoords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/essentialdynamics/edsam.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/output.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/output.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull_rotation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pullutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/awh.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/awh.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/bias.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/bias.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biassharing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biaswriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/coordstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationhistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationtensor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/histogramsize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/pointstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/read_params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/simd/support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/support.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imdsocket.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/conformation_utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nrnb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/boxdeformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/broadcaststructs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calc_verletbuf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcmu.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcvir.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/checkpointhandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/compute_io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constraintrange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/coupling.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/dispersioncorrection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/ebin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/enerdata_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/energyoutput.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/force.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/gmx_omp_nthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/groupcoord.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/lincs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/md_support.cpp /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp: In function ‘void __static_initialization_and_destruction_0(int, int)’: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp:103:16: warning: ignoring return value of ‘char* getenv(const char*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 103 | (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~ cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdatoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdebin_bar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdoutf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/membed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/nsgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/perf_est.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gamess.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gaussian.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_mopac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_orca.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qmmm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rbin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/resethandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rf_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/settle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/shake.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sighandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sim_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/simulationsignal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/splitter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stophandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tgroup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/trajectory_writing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update_constrain_cuda_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroups.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroupscog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vcm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/wall.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfitting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingamplitudelookup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoutputprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/electricfield.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/bonded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/disre.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/gpubonded_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_forces.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/manage_threading.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/orires.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/pairs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/position_restraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/restcbt.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/calculate_spline_moduli.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/long_range_correction.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gather.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_load_balancing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp.cpp /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp: In function ‘void __static_initialization_and_destruction_0(int, int)’: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp:104:16: warning: ignoring return value of ‘char* getenv(const char*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 104 | (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~ cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_solve.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spline_work.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spread.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp_comm_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_force_sender_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/calcgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft5d.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/parallel_3dfft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft_fftw3.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/clfftinitializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/hostallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_testutils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/cpuinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/detecthardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/gpu_hw_info.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/hardwaretopology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/printhardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/identifyavx512fmaunits.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacymdrunoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacysimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/md.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mdmodules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mimic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/minimize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/replicaexchange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/rerun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/runner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/shellfc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/simulationcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/tpi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/handlerestart.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/logging.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/multisim.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/printtime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/threadaffinity.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/basicoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/behaviorcollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/options.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/options.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsassigner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsvisitor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/timeunitmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/treesupport.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/manager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/restraintmdmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidegpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidesimulationworkload.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/findallgputasks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/reportgpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/resourcedivision.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/taskassignment.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/usergpuids.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/energyframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/trajectoryframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/communicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs/utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/checkpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/confio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/enxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/espio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/filetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/g96io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmx_internal_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/groio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/libxdrf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/matio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/md5.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymapheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mtxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/oenv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/pdbio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/readinp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/timecontrol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tngio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tpxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trrio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/vmdio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/warninp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/writeps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xdrd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xtcio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xvgr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/centerofmass.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/compiler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/evaluate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/indexutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/mempool.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/nbsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parsetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/poscalc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectioncollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionbehavior.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selelem.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selhelp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selmethod.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selvalue.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_distance.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_insolidangle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_keywords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_merge.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_permute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_same.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_simple.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/symrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/cmake -P CMakeFiles/libgromacs.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/gromacs && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgromacs.dir/link.txt --verbose=1 /usr/bin/ar qc ../../lib/libgromacs_mdrun_mpi_d.mpich.a CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o CMakeFiles/libgromacs.dir/utility/any.cpp.o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o CMakeFiles/libgromacs.dir/utility/compare.cpp.o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o CMakeFiles/libgromacs.dir/utility/futil.cpp.o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o CMakeFiles/libgromacs.dir/utility/init.cpp.o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o CMakeFiles/libgromacs.dir/utility/logger.cpp.o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o CMakeFiles/libgromacs.dir/utility/path.cpp.o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o CMakeFiles/libgromacs.dir/domdec/box.cpp.o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o CMakeFiles/libgromacs.dir/math/functions.cpp.o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o CMakeFiles/libgromacs.dir/math/units.cpp.o CMakeFiles/libgromacs.dir/math/utilities.cpp.o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o CMakeFiles/libgromacs.dir/random/seed.cpp.o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o CMakeFiles/libgromacs.dir/topology/block.cpp.o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o CMakeFiles/libgromacs.dir/topology/idef.cpp.o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o CMakeFiles/libgromacs.dir/topology/index.cpp.o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o CMakeFiles/libgromacs.dir/topology/topology.cpp.o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o CMakeFiles/libgromacs.dir/pulling/output.cpp.o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o CMakeFiles/libgromacs.dir/awh/awh.cpp.o CMakeFiles/libgromacs.dir/awh/bias.cpp.o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o CMakeFiles/libgromacs.dir/awh/grid.cpp.o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o CMakeFiles/libgromacs.dir/simd/support.cpp.o CMakeFiles/libgromacs.dir/imd/imd.cpp.o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o CMakeFiles/libgromacs.dir/fft/fft.cpp.o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o CMakeFiles/libgromacs.dir/options/options.cpp.o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o CMakeFiles/libgromacs.dir/selection/params.cpp.o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o CMakeFiles/libgromacs.dir/selection/position.cpp.o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o CMakeFiles/libgromacs.dir/selection/selection.cpp.o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/matrix.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/nrjac.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/constraintelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/domdechelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/energyelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/forceelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/propagator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/signallers.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/topologyholder.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o selection/CMakeFiles/scanner.dir/parser.cpp.o selection/CMakeFiles/scanner.dir/scanner.cpp.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o /usr/bin/ranlib ../../lib/libgromacs_mdrun_mpi_d.mpich.a make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' [100%] Built target libgromacs /usr/bin/make -f src/programs/CMakeFiles/mdrun.dir/build.make src/programs/CMakeFiles/mdrun.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/programs/CMakeFiles/mdrun.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' /usr/bin/make -f src/programs/CMakeFiles/mdrun.dir/build.make src/programs/CMakeFiles/mdrun.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/programs && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun.dir/mdrun_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/src/programs && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun.dir/mdrun_main.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../bin/mdrun_mpi_d.mpich ../../lib/libgromacs_mdrun_mpi_d.mpich.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lpthread -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' [100%] Built target mdrun make[2]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp/CMakeFiles 0 make[1]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich-dp' sed -e 's/#MPIABBR#/mpich/g' -e 's/#MPIPROG#/MPICH/g' \ < debian/gromacs-parallel.README.Debian.in \ > debian/gromacs-mpich.README.Debian /usr/bin/make -j4 -C build/mpich tests make[1]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/make -f CMakeFiles/Makefile2 tests make[2]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/CMakeFiles 96 /usr/bin/make -f CMakeFiles/Makefile2 CMakeFiles/tests.dir/all make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/CMakeFiles/release-version-info.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/gromacs-lj8Hdg/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/lmfit_objlib.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[4]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 0%] Built target scanner [ 0%] Built target lmfit_objlib /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/thread_mpi.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 1%] Built target thread_mpi /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color= [ 1%] Built target release-version-info /usr/bin/make -f src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build.make src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/tng_io_obj.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/external/googletest/googlemock/gtest /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/DependInfo.cmake --color= [ 3%] Built target tng_io_obj make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[4]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[4]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 3%] Built target linearalgebra [ 5%] Built target modularsimulator /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend Scanning dependencies of target gtest make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build.make src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/external/googletest/googlemock/gtest && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wshadow -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=c++14 -o CMakeFiles/gtest.dir/src/gtest-all.cc.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/src/gtest-all.cc make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/libgromacs.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 72%] Built target libgromacs cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/external/googletest/googlemock/gtest && /usr/bin/cmake -P CMakeFiles/gtest.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/external/googletest/googlemock/gtest && /usr/bin/cmake -E cmake_link_script CMakeFiles/gtest.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../../lib/libgtest.a CMakeFiles/gtest.dir/src/gtest-all.cc.o /usr/bin/ranlib ../../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 72%] Built target gtest /usr/bin/make -f src/external/googletest/googlemock/CMakeFiles/gmock.dir/build.make src/external/googletest/googlemock/CMakeFiles/gmock.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/external/googletest/googlemock /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/external/googletest/googlemock/CMakeFiles/gmock.dir/DependInfo.cmake --color= Scanning dependencies of target gmock make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/external/googletest/googlemock/CMakeFiles/gmock.dir/build.make src/external/googletest/googlemock/CMakeFiles/gmock.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/external/googletest/googlemock && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DGTEST_CAN_STREAM_RESULTS=0 -D_GNU_SOURCE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wshadow -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -Wno-deprecated-copy -std=c++14 -o CMakeFiles/gmock.dir/src/gmock-all.cc.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/src/gmock-all.cc cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/external/googletest/googlemock && /usr/bin/cmake -P CMakeFiles/gmock.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/external/googletest/googlemock && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmock.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libgmock.a CMakeFiles/gmock.dir/src/gmock-all.cc.o /usr/bin/ranlib ../../../../lib/libgmock.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 73%] Built target gmock /usr/bin/make -f src/testutils/CMakeFiles/testutils.dir/build.make src/testutils/CMakeFiles/testutils.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/CMakeFiles/testutils.dir/DependInfo.cmake --color= Scanning dependencies of target testutils make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/testutils/CMakeFiles/testutils.dir/build.make src/testutils/CMakeFiles/testutils.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/cmdlinetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/cmdlinetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/conftest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/conftest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/filematchers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/filematchers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/interactivetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/interactivetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/loggertest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/loggertest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/mpi_printer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/mpi_printer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/mpitest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/mpitest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/refdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/refdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/refdata_xml.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/refdata_xml.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/simulationdatabase.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/stdiohelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/stdiohelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/stringtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/stringtest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testasserts.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testasserts.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testfilemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testfilemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testfileredirector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testfileredirector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testinit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testinit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testmatchers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testmatchers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/textblockmatchers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/textblockmatchers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/tprfilegenerator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tprfilegenerator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/xvgtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/xvgtest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/__/external/tinyxml2/tinyxml2.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tinyxml2/tinyxml2.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/cmake -P CMakeFiles/testutils.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils.dir/link.txt --verbose=1 /usr/bin/ar qc ../../lib/libtestutils.a CMakeFiles/testutils.dir/cmdlinetest.cpp.o CMakeFiles/testutils.dir/conftest.cpp.o CMakeFiles/testutils.dir/filematchers.cpp.o CMakeFiles/testutils.dir/interactivetest.cpp.o CMakeFiles/testutils.dir/loggertest.cpp.o CMakeFiles/testutils.dir/mpi_printer.cpp.o CMakeFiles/testutils.dir/mpitest.cpp.o CMakeFiles/testutils.dir/refdata.cpp.o CMakeFiles/testutils.dir/refdata_xml.cpp.o CMakeFiles/testutils.dir/simulationdatabase.cpp.o CMakeFiles/testutils.dir/stdiohelper.cpp.o CMakeFiles/testutils.dir/stringtest.cpp.o CMakeFiles/testutils.dir/testasserts.cpp.o CMakeFiles/testutils.dir/testfilemanager.cpp.o CMakeFiles/testutils.dir/testfileredirector.cpp.o CMakeFiles/testutils.dir/testinit.cpp.o CMakeFiles/testutils.dir/testmatchers.cpp.o CMakeFiles/testutils.dir/testoptions.cpp.o CMakeFiles/testutils.dir/textblockmatchers.cpp.o CMakeFiles/testutils.dir/tprfilegenerator.cpp.o CMakeFiles/testutils.dir/xvgtest.cpp.o CMakeFiles/testutils.dir/__/external/tinyxml2/tinyxml2.cpp.o /usr/bin/ranlib ../../lib/libtestutils.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 76%] Built target testutils /usr/bin/make -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/depend /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/depend /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/depend /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/CMakeFiles/selection-test.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests/CMakeFiles/testutils-test.dir/DependInfo.cmake --color= Scanning dependencies of target utility-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build Scanning dependencies of target testutils-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/mpitest.cpp Scanning dependencies of target testutils-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/interactivetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/interactivetest.cpp Scanning dependencies of target selection-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/indexutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/indexutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-mpi-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-mpi-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-mpi-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-mpi-test ../../../lib/libtestutils.a ../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../lib/libgtest.a -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/refdata_tests.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 77%] Built target testutils-mpi-test /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/depend make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 77%] Built target utility-mpi-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/nbsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/nbsearch.cpp make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/CMakeFiles/utility-test.dir/DependInfo.cmake --color= Scanning dependencies of target utility-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/alignedallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/alignedallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/poscalc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/poscalc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/arrayref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/arrayref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/testasserts_tests.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectioncollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/selectioncollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectionoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/selectionoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/xvgtest_tests.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-test.dir/interactivetest.cpp.o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-test ../../../lib/libtestutils.a ../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 77%] Built target testutils-test /usr/bin/make -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdlib-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/calc_verletbuf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/constr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/toputils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/toputils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestdata.cpp /usr/bin/make -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/DependInfo.cmake --color= Scanning dependencies of target applied_forces-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfitting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/selection-test.dir/indexutil.cpp.o CMakeFiles/selection-test.dir/nbsearch.cpp.o CMakeFiles/selection-test.dir/poscalc.cpp.o CMakeFiles/selection-test.dir/selectioncollection.cpp.o CMakeFiles/selection-test.dir/selectionoption.cpp.o CMakeFiles/selection-test.dir/toputils.cpp.o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/selection-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 78%] Built target selection-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestrunners.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingamplitudelookup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/ebin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/ebin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/energyoutput.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/expanded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/expanded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/electricfield.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask32.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/bitmask32.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/applied_forces-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrog.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/depend [ 78%] Built target applied_forces-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask64.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/bitmask64.cpp make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/DependInfo.cmake --color= Scanning dependencies of target onlinehelp-test-shared make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/mock_helptopic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/cmake -P CMakeFiles/onlinehelp-test-shared.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libonlinehelp-test-shared.a CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o /usr/bin/ranlib ../../../../lib/libonlinehelp-test-shared.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 78%] Built target onlinehelp-test-shared cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestrunners.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/settle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask128.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/bitmask128.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/settletestdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/settletestrunners.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/cstringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/cstringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/shake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/shake.cpp /usr/bin/make -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/DependInfo.cmake --color= Scanning dependencies of target domdec-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/tests/hashedmap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/simulationsignal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/defaultinitializationallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/tests/localatomsetmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/enumerationhelpers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/fixedcapacityvector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroups.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/updategroups.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/updategroupscog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/inmemoryserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreeserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/domdec-test.dir/hashedmap.cpp.o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/domdec-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 78%] Built target domdec-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreetransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/logger.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/logger.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlib-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o CMakeFiles/mdlib-test.dir/constr.cpp.o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o CMakeFiles/mdlib-test.dir/ebin.cpp.o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o CMakeFiles/mdlib-test.dir/expanded.cpp.o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o CMakeFiles/mdlib-test.dir/settle.cpp.o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o CMakeFiles/mdlib-test.dir/shake.cpp.o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o CMakeFiles/mdlib-test.dir/updategroups.cpp.o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdlib-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread /usr/bin/make -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/DependInfo.cmake --color= Scanning dependencies of target ewald-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmebsplinetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmegathertest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/mutex.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/mutex.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 80%] Built target mdlib-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmesolvetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/path.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/path.cpp /usr/bin/make -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fft/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake --color= Scanning dependencies of target fft-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fft/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fft/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/fft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/tests/fft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/stringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/stringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/textreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmesplinespreadtest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fft/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fft/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fft/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fft-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/fft-test.dir/fft.cpp.o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fft-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 80%] Built target fft-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmetestcommon.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/testhardwarecontexts.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/textwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/typetraits.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/typetraits.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/ewald/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/ewald-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/ewald-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread /usr/bin/make -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp Scanning dependencies of target gpu_utils-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/gputest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/gputest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/clfftinitializer.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 81%] Built target ewald-test /usr/bin/make -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/DependInfo.cmake --color= Scanning dependencies of target hardware-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/tests/hardwaretopology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-test.dir/alignedallocator.cpp.o CMakeFiles/utility-test.dir/arrayref.cpp.o CMakeFiles/utility-test.dir/bitmask32.cpp.o CMakeFiles/utility-test.dir/bitmask64.cpp.o CMakeFiles/utility-test.dir/bitmask128.cpp.o CMakeFiles/utility-test.dir/cstringutil.cpp.o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o CMakeFiles/utility-test.dir/logger.cpp.o CMakeFiles/utility-test.dir/mutex.cpp.o CMakeFiles/utility-test.dir/path.cpp.o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o CMakeFiles/utility-test.dir/stringutil.cpp.o CMakeFiles/utility-test.dir/textreader.cpp.o CMakeFiles/utility-test.dir/textwriter.cpp.o CMakeFiles/utility-test.dir/typetraits.cpp.o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/hostallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/devicetransfers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 84%] Built target utility-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/CMakeFiles/math-test.dir/DependInfo.cmake --color= /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/DependInfo.cmake --color= Scanning dependencies of target math-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/arrayrefwithpadding.cpp Scanning dependencies of target mdrunutility-test-shared make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinitytest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/hardware/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/hardware-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/hardware-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 84%] Built target hardware-test /usr/bin/make -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdspan-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/accessor_policy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extents.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/extents.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/cmake -P CMakeFiles/mdrunutility-test-shared.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test-shared.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libmdrunutility-test-shared.a CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o /usr/bin/ranlib ../../../../lib/libmdrunutility-test-shared.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 85%] Built target mdrunutility-test-shared cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extensions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/extensions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/coordinatetransformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/densityfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/layouts.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/layouts.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/mdspan.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/mdspan.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/dofit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/dofit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/exponentialmovingaverage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/functions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/functions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/gausstransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/gausstransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/gpu_utils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gpu_utils-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/gpu_utils-test.dir/gputest.cpp.o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gpu_utils-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 85%] Built target gpu_utils-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfittingforce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/densityfittingforce.cpp /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/DependInfo.cmake --color= Scanning dependencies of target onlinehelp-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpmanager.cpp /usr/bin/make -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests/CMakeFiles/options-test.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/invertmatrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/invertmatrix.cpp Scanning dependencies of target options-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/abstractoptionstorage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdspan/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdspan-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o CMakeFiles/mdspan-test.dir/extents.cpp.o CMakeFiles/mdspan-test.dir/extensions.cpp.o CMakeFiles/mdspan-test.dir/layouts.cpp.o CMakeFiles/mdspan-test.dir/mdspan.cpp.o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdspan-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/matrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/matrix.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 85%] Built target mdspan-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/multidimarray.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/multidimarray.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpwritercontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/onlinehelp-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/paddedvector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/paddedvector.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 86%] Built target onlinehelp-test /usr/bin/make -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pbcutil/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/DependInfo.cmake --color= Scanning dependencies of target pbcutil-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pbcutil/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/tests/pbc.cpp /usr/bin/make -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests/CMakeFiles/random-test.dir/DependInfo.cmake --color= Scanning dependencies of target random-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/exponentialdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/exponentialdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pbcutil/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/tests/pbcenums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pbcutil/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pbcutil/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pbcutil-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/pbcutil-test.dir/pbc.cpp.o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pbcutil-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/filenameoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/gammadistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/gammadistribution.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 86%] Built target pbcutil-test /usr/bin/make -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/DependInfo.cmake --color= Scanning dependencies of target restraintpotential-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/manager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/tests/manager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/filenameoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/restraintpotential-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/restraintpotential-test.dir/manager.cpp.o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/restraintpotential-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/normaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/normaldistribution.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 86%] Built target restraintpotential-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/seed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/seed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/tabulatednormaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/threefry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/threefry.cpp /usr/bin/make -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/tables/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/tables/tests/CMakeFiles/table-test.dir/DependInfo.cmake --color= Scanning dependencies of target table-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/tables/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/tables/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/splinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/tests/splinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/option.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/option.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/vectypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/vectypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/optionsassigner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/optionsassigner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/uniformintdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/uniformrealdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/math/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/math-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o CMakeFiles/math-test.dir/densityfit.cpp.o CMakeFiles/math-test.dir/dofit.cpp.o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o CMakeFiles/math-test.dir/functions.cpp.o CMakeFiles/math-test.dir/gausstransform.cpp.o CMakeFiles/math-test.dir/densityfittingforce.cpp.o CMakeFiles/math-test.dir/invertmatrix.cpp.o CMakeFiles/math-test.dir/matrix.cpp.o CMakeFiles/math-test.dir/multidimarray.cpp.o CMakeFiles/math-test.dir/paddedvector.cpp.o CMakeFiles/math-test.dir/vectypes.cpp.o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/math-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 88%] Built target math-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/repeatingsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/repeatingsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/random/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/random-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/random-test.dir/exponentialdistribution.cpp.o CMakeFiles/random-test.dir/gammadistribution.cpp.o CMakeFiles/random-test.dir/normaldistribution.cpp.o CMakeFiles/random-test.dir/seed.cpp.o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o CMakeFiles/random-test.dir/threefry.cpp.o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/random-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 89%] Built target random-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/timeunitmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/timeunitmanager.cpp /usr/bin/make -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/DependInfo.cmake --color= Scanning dependencies of target taskassignment-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/tests/usergpuids.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/treesupport.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/treesupport.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/tables/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/tables/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/tables/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/table-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/table-test.dir/splinetable.cpp.o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/table-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 89%] Built target table-test /usr/bin/make -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/topology/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/topology/tests/CMakeFiles/topology-test.dir/DependInfo.cmake --color= Scanning dependencies of target topology-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/topology/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/exclusionblocks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests/exclusionblocks.cpp /usr/bin/make -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/DependInfo.cmake --color= Scanning dependencies of target pull-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/pull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/tests/pull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/topology/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/mtop.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests/mtop.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/taskassignment/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/taskassignment-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/taskassignment-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 90%] Built target taskassignment-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/topology/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/symtab.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests/symtab.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/pulling/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pull-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/pull-test.dir/pull.cpp.o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pull-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 91%] Built target pull-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/topology/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/options/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/options-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o CMakeFiles/options-test.dir/filenameoption.cpp.o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o CMakeFiles/options-test.dir/option.cpp.o CMakeFiles/options-test.dir/optionsassigner.cpp.o CMakeFiles/options-test.dir/repeatingsection.cpp.o CMakeFiles/options-test.dir/timeunitmanager.cpp.o CMakeFiles/options-test.dir/treesupport.cpp.o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/options-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread /usr/bin/make -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/awh/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/awh/tests/CMakeFiles/awh-test.dir/DependInfo.cmake --color= Scanning dependencies of target awh-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build /usr/bin/make -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/awh/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/bias.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests/bias.cpp make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/CMakeFiles/simd-test.dir/DependInfo.cmake --color= Scanning dependencies of target simd-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/bootstrap_loadstore.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 92%] Built target options-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/base.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/base.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/topology-test.dir/exclusionblocks.cpp.o CMakeFiles/topology-test.dir/mtop.cpp.o CMakeFiles/topology-test.dir/symtab.cpp.o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/topology-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/awh/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests/biasstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 93%] Built target topology-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/awh/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_vector_operations.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/awh/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_math.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_memory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_memory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/awh-test.dir/bias.cpp.o CMakeFiles/awh-test.dir/biasstate.cpp.o CMakeFiles/awh-test.dir/grid.cpp.o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/awh-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 94%] Built target awh-test /usr/bin/make -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/compat/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/compat/tests/CMakeFiles/compat-test.dir/DependInfo.cmake --color= Scanning dependencies of target compat-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-unused-member-function -o CMakeFiles/compat-test.dir/optional.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests/optional.cpp /usr/bin/make -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/DependInfo.cmake --color= Scanning dependencies of target fileio-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/confio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/confio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/filemd5.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/filemd5.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/mrcserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests/pointers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_integer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_integer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymapheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/string_view.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests/string_view.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/readinp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/readinp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/fileioxdrserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4_floatingpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/tngio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/tngio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4_vector_operations.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_math.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4_math.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/scalar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/fileio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileio-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/fileio-test.dir/confio.cpp.o CMakeFiles/fileio-test.dir/filemd5.cpp.o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o CMakeFiles/fileio-test.dir/readinp.cpp.o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o CMakeFiles/fileio-test.dir/tngio.cpp.o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fileio-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/scalar_util.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 95%] Built target fileio-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_math.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/scalar_math.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/compat/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/compat-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/compat-test.dir/optional.cpp.o CMakeFiles/compat-test.dir/pointers.cpp.o CMakeFiles/compat-test.dir/string_view.cpp.o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/compat-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 96%] Built target compat-test /usr/bin/make -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/DependInfo.cmake --color= Scanning dependencies of target commandline-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpmodule.cpp /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/depend /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrunutility-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity_mpi.cpp Scanning dependencies of target mdrunutility-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/simd/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/simd-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o CMakeFiles/simd-test.dir/base.cpp.o CMakeFiles/simd-test.dir/simd.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd_math.cpp.o CMakeFiles/simd-test.dir/simd_memory.cpp.o CMakeFiles/simd-test.dir/simd_integer.cpp.o CMakeFiles/simd-test.dir/simd4.cpp.o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd4_math.cpp.o CMakeFiles/simd-test.dir/scalar.cpp.o CMakeFiles/simd-test.dir/scalar_util.cpp.o CMakeFiles/simd-test.dir/scalar_math.cpp.o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/simd-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgtest.a -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 98%] Built target simd-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-mpi-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-mpi-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a -lpthread cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 98%] Built target mdrunutility-mpi-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanagertest.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [ 98%] Built target mdrunutility-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineprogramcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/filenm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/filenm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/pargs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/pargs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/mpicxx.mpich -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/commandline/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/commandline-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.mpich -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -Wl,-z,relro -Wl,-z,now CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o CMakeFiles/commandline-test.dir/filenm.cpp.o CMakeFiles/commandline-test.dir/pargs.cpp.o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/commandline-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a ../../../../lib/libgmock.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.mpich.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a -lpthread make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [100%] Built target commandline-test /usr/bin/make -f CMakeFiles/tests.dir/build.make CMakeFiles/tests.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/CMakeFiles/tests.dir/DependInfo.cmake --color= Scanning dependencies of target tests make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/make -f CMakeFiles/tests.dir/build.make CMakeFiles/tests.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[4]: Nothing to be done for 'CMakeFiles/tests.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' [100%] Built target tests make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/CMakeFiles 0 make[2]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' make[1]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich' (cd build/mpich; LD_LIBRARY_PATH=/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/lib \ ctest -V || dpkg-architecture -i hurd-i386 || dpkg-architecture -i s390x ) UpdateCTestConfiguration from :/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/DartConfiguration.tcl Parse Config file:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/DartConfiguration.tcl UpdateCTestConfiguration from :/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/DartConfiguration.tcl Parse Config file:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/DartConfiguration.tcl Test project /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich Constructing a list of tests Done constructing a list of tests Updating test list for fixtures Added 0 tests to meet fixture requirements Checking test dependency graph... Checking test dependency graph end test 1 Start 1: TestUtilsUnitTests 1: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/testutils-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/TestUtilsUnitTests.xml" 1: Test timeout computed to be: 30 1: [==========] Running 59 tests from 5 test cases. 1: [----------] Global test environment set-up. 1: [----------] 10 tests from InteractiveTestHelperTest 1: [ RUN ] InteractiveTestHelperTest.ChecksSimpleSession 1: [ OK ] InteractiveTestHelperTest.ChecksSimpleSession (5 ms) 1: [ RUN ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline 1: [ OK ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline (1 ms) 1: [ RUN ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput 1: [ OK ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput (0 ms) 1: [ RUN ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput 1: [ OK ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsIncorrectOutput 1: [ OK ] InteractiveTestHelperTest.DetectsIncorrectOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsMissingOutput 1: [ OK ] InteractiveTestHelperTest.DetectsMissingOutput (0 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsMissingFinalOutput 1: [ OK ] InteractiveTestHelperTest.DetectsMissingFinalOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsExtraOutput 1: [ OK ] InteractiveTestHelperTest.DetectsExtraOutput (0 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsMissingInput 1: [ OK ] InteractiveTestHelperTest.DetectsMissingInput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsExtraInput 1: [ OK ] InteractiveTestHelperTest.DetectsExtraInput (0 ms) 1: [----------] 10 tests from InteractiveTestHelperTest (10 ms total) 1: 1: [----------] 34 tests from ReferenceDataTest 1: [ RUN ] ReferenceDataTest.HandlesSimpleData 1: [ OK ] ReferenceDataTest.HandlesSimpleData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesFloatingPointData 1: [ OK ] ReferenceDataTest.HandlesFloatingPointData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesPresenceChecks 1: [ OK ] ReferenceDataTest.HandlesPresenceChecks (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesStringBlockData 1: [ OK ] ReferenceDataTest.HandlesStringBlockData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesVectorData 1: [ OK ] ReferenceDataTest.HandlesVectorData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSequenceData 1: [ OK ] ReferenceDataTest.HandlesSequenceData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSequenceOfCustomData 1: [ OK ] ReferenceDataTest.HandlesSequenceOfCustomData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesIncorrectData 1: [ OK ] ReferenceDataTest.HandlesIncorrectData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesIncorrectDataType 1: [ OK ] ReferenceDataTest.HandlesIncorrectDataType (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesMissingData 1: [ OK ] ReferenceDataTest.HandlesMissingData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUncheckedData 1: [ OK ] ReferenceDataTest.HandlesUncheckedData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUncheckedDataInSequence 1: [ OK ] ReferenceDataTest.HandlesUncheckedDataInSequence (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUncheckedDataInCompound 1: [ OK ] ReferenceDataTest.HandlesUncheckedDataInCompound (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesAnys 1: [ OK ] ReferenceDataTest.HandlesAnys (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesKeyValueTree 1: [ OK ] ReferenceDataTest.HandlesKeyValueTree (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesKeyValueTreeExtraKey 1: [ OK ] ReferenceDataTest.HandlesKeyValueTreeExtraKey (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesKeyValueTreeMissingKey 1: [ OK ] ReferenceDataTest.HandlesKeyValueTreeMissingKey (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesAnysWithIncorrectValue 1: [ OK ] ReferenceDataTest.HandlesAnysWithIncorrectValue (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesAnysWithIncorrectType 1: [ OK ] ReferenceDataTest.HandlesAnysWithIncorrectType (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesMissingReferenceDataFile 1: [ OK ] ReferenceDataTest.HandlesMissingReferenceDataFile (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSpecialCharactersInStrings 1: [ OK ] ReferenceDataTest.HandlesSpecialCharactersInStrings (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace 1: [ OK ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesEmptyStrings 1: [ OK ] ReferenceDataTest.HandlesEmptyStrings (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesEmbeddedCdataEndTagInTextBlock 1: [ OK ] ReferenceDataTest.HandlesEmbeddedCdataEndTagInTextBlock (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSequenceItemIndices 1: [ OK ] ReferenceDataTest.HandlesSequenceItemIndices (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesMultipleChecksAgainstSameData 1: [ OK ] ReferenceDataTest.HandlesMultipleChecksAgainstSameData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesMultipleNullIds 1: [ OK ] ReferenceDataTest.HandlesMultipleNullIds (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds 1: [ OK ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesReadingValues 1: [ OK ] ReferenceDataTest.HandlesReadingValues (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithoutChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithoutChanges (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries (1 ms) 1: [----------] 34 tests from ReferenceDataTest (9 ms total) 1: 1: [----------] 7 tests from FloatingPointDifferenceTest 1: [ RUN ] FloatingPointDifferenceTest.HandlesEqualValues 1: [ OK ] FloatingPointDifferenceTest.HandlesEqualValues (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesFloatValues 1: [ OK ] FloatingPointDifferenceTest.HandlesFloatValues (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesZerosOfDifferentSign 1: [ OK ] FloatingPointDifferenceTest.HandlesZerosOfDifferentSign (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesSignComparisonWithZero 1: [ OK ] FloatingPointDifferenceTest.HandlesSignComparisonWithZero (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesUlpDifferences 1: [ OK ] FloatingPointDifferenceTest.HandlesUlpDifferences (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesUlpDifferenceAcrossZero 1: [ OK ] FloatingPointDifferenceTest.HandlesUlpDifferenceAcrossZero (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesNaN 1: [ OK ] FloatingPointDifferenceTest.HandlesNaN (0 ms) 1: [----------] 7 tests from FloatingPointDifferenceTest (0 ms total) 1: 1: [----------] 4 tests from FloatingPointToleranceTest 1: [ RUN ] FloatingPointToleranceTest.UlpTolerance 1: [ OK ] FloatingPointToleranceTest.UlpTolerance (0 ms) 1: [ RUN ] FloatingPointToleranceTest.RelativeToleranceAsFloatingPoint 1: [ OK ] FloatingPointToleranceTest.RelativeToleranceAsFloatingPoint (0 ms) 1: [ RUN ] FloatingPointToleranceTest.RelativeToleranceAsUlp 1: [ OK ] FloatingPointToleranceTest.RelativeToleranceAsUlp (0 ms) 1: [ RUN ] FloatingPointToleranceTest.DefaultFloatTolerance 1: [ OK ] FloatingPointToleranceTest.DefaultFloatTolerance (0 ms) 1: [----------] 4 tests from FloatingPointToleranceTest (0 ms total) 1: 1: [----------] 4 tests from XvgTests 1: [ RUN ] XvgTests.CreateFile 1: [ OK ] XvgTests.CreateFile (1 ms) 1: [ RUN ] XvgTests.CheckMissing 1: [ OK ] XvgTests.CheckMissing (1 ms) 1: [ RUN ] XvgTests.CheckExtra 1: [ OK ] XvgTests.CheckExtra (0 ms) 1: [ RUN ] XvgTests.ReadIncorrect 1: [ OK ] XvgTests.ReadIncorrect (1 ms) 1: [----------] 4 tests from XvgTests (3 ms total) 1: 1: [----------] Global test environment tear-down 1: [==========] 59 tests from 5 test cases ran. (22 ms total) 1: [ PASSED ] 59 tests. 1/30 Test #1: TestUtilsUnitTests ............... Passed 0.12 sec test 2 Start 2: TestUtilsMpiUnitTests 2: Test command: /usr/bin/mpiexec.mpich "-np" "2" "-host" "localhost" "/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/testutils-mpi-test" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/TestUtilsMpiUnitTests.xml" 2: Test timeout computed to be: 30 2: [==========] Running 1 test from 1 test case. 2: [----------] Global test environment set-up. 2: [----------] 1 test from MpiSelfTest 2: [ RUN ] MpiSelfTest.Runs 2: [ OK ] MpiSelfTest.Runs (0 ms) 2: [----------] 1 test from MpiSelfTest (0 ms total) 2: 2: [----------] Global test environment tear-down 2: [==========] 1 test from 1 test case ran. (0 ms total) 2: [ PASSED ] 1 test. 2/30 Test #2: TestUtilsMpiUnitTests ............ Passed 0.10 sec test 3 Start 3: UtilityUnitTests 3: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/utility-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/UtilityUnitTests.xml" 3: Test timeout computed to be: 30 3: [==========] Running 347 tests from 56 test cases. 3: [----------] Global test environment set-up. 3: [----------] 5 tests from AllocatorTest/0, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/0.Move 3: [ OK ] AllocatorTest/0.Move (0 ms) 3: [ RUN ] AllocatorTest/0.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/0.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/0 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/1, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/1.Move 3: [ OK ] AllocatorTest/1.Move (0 ms) 3: [ RUN ] AllocatorTest/1.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/1.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/1 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/2, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/2.Move 3: [ OK ] AllocatorTest/2.Move (0 ms) 3: [ RUN ] AllocatorTest/2.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/2.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/2 (1 ms total) 3: 3: [----------] 5 tests from AllocatorTest/3, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/3.Move 3: [ OK ] AllocatorTest/3.Move (0 ms) 3: [ RUN ] AllocatorTest/3.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/3.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/3 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/4, where TypeParam = gmx::Allocator, gmx::AlignedAllocationPolicy> 3: [ RUN ] AllocatorTest/4.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/4.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/4.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/4.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/4.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/4.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/4.Move 3: [ OK ] AllocatorTest/4.Move (0 ms) 3: [ RUN ] AllocatorTest/4.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/4.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/4 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/5, where TypeParam = gmx::Allocator, gmx::PageAlignedAllocationPolicy> 3: [ RUN ] AllocatorTest/5.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/5.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/5.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/5.VectorAllocatesAndResizesWithAlignment (1 ms) 3: [ RUN ] AllocatorTest/5.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/5.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/5.Move 3: [ OK ] AllocatorTest/5.Move (0 ms) 3: [ RUN ] AllocatorTest/5.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/5.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/5 (1 ms total) 3: 3: [----------] 1 test from AllocatorUntypedTest 3: [ RUN ] AllocatorUntypedTest.Comparison 3: [ OK ] AllocatorUntypedTest.Comparison (0 ms) 3: [----------] 1 test from AllocatorUntypedTest (0 ms total) 3: 3: [----------] 1 test from EmptyArrayRefTest 3: [ RUN ] EmptyArrayRefTest.IsEmpty 3: [ OK ] EmptyArrayRefTest.IsEmpty (0 ms) 3: [----------] 1 test from EmptyArrayRefTest (0 ms total) 3: 3: [----------] 1 test from EmptyConstArrayRefTest 3: [ RUN ] EmptyConstArrayRefTest.IsEmpty 3: [ OK ] EmptyConstArrayRefTest.IsEmpty (0 ms) 3: [----------] 1 test from EmptyConstArrayRefTest (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/0, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/0.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/0.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/0.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/0.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/0.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/0.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/0.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/0.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/0.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/0.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/0 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/1, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/1.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/1.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/1.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/1.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/1.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/1.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/1.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/1.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/1.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/1.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/1 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/2, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/2.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/2.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/2.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/2.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/2.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/2.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/2.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/2.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/2.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/2.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/2 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/3, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/3.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/3.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/3.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/3.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/3.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/3.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/3.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/3.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/3.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/3.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/3 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/4, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/4.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/4.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/4.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/4.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/4.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/4.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/4.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/4.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/4.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/4.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/4 (1 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/5, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/5.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/5.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/5.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/5.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/5.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/5.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/5.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/5.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/5.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/5.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/5 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/6, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/6.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/6.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/6.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/6.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/6.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/6.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/6.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/6.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/6.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/6.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/6 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/7, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/7.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/7.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/7.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/7.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/7.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/7.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/7.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/7.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/7.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/7.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/7 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/8, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/8.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/8.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/8.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/8.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/8.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/8.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/8.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/8.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/8.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/8.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/8 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/9, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/9.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/9.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/9.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/9.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/9.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/9.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/9.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/9.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/9.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/9.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/9 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/10, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/10.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/10.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/10.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/10.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/10.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/10.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/10.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/10.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/10.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/10.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/10 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/11, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/11.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/11.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/11.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/11.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/11.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/11.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/11.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/11.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/11.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/11.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/11 (1 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/12, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/12.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/12.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/12.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/12.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/12.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/12.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/12.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/12.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/12.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/12.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/12 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/13, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/13.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/13.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/13.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/13.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/13.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/13.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/13.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/13.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/13.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/13.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/13 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/14, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/14.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/14.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/14.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/14.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/14.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/14.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/14.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/14.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/14.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/14.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/14 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/15, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/15.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/15.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/15.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/15.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/15.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/15.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/15.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/15.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/15.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/15.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/15 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/16, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/16.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/16.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/16.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/16.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/16.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/16.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/16.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/16.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/16.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/16.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/16 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/17, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/17.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/17.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/17.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/17.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/17.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/17.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/17.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/17.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/17.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/17.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/17 (1 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/18, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/18.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/18.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/18.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/18.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/18.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/18.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/18.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/18.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/18.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/18.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/18 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/19, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/19.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/19.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/19.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/19.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/19.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/19.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/19.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/19.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/19.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/19.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/19 (0 ms total) 3: 3: [----------] 2 tests from CStringUtilityTest 3: [ RUN ] CStringUtilityTest.CaseInsensitiveComparison 3: [ OK ] CStringUtilityTest.CaseInsensitiveComparison (0 ms) 3: [ RUN ] CStringUtilityTest.CaseInsensitiveComparisonInLength 3: [ OK ] CStringUtilityTest.CaseInsensitiveComparisonInLength (0 ms) 3: [----------] 2 tests from CStringUtilityTest (0 ms total) 3: 3: [----------] 2 tests from DefaultInitializationAllocator 3: [ RUN ] DefaultInitializationAllocator.PerformsValueInitialization 3: [ OK ] DefaultInitializationAllocator.PerformsValueInitialization (0 ms) 3: [ RUN ] DefaultInitializationAllocator.PerformsNoInitialization 3: [ OK ] DefaultInitializationAllocator.PerformsNoInitialization (0 ms) 3: [----------] 2 tests from DefaultInitializationAllocator (0 ms total) 3: 3: [----------] 4 tests from EnumerationHelpersTest 3: [ RUN ] EnumerationHelpersTest.EnumerationWrapperWorks 3: [ OK ] EnumerationHelpersTest.EnumerationWrapperWorks (0 ms) 3: [ RUN ] EnumerationHelpersTest.EnumerationArrayWorks 3: [ OK ] EnumerationHelpersTest.EnumerationArrayWorks (0 ms) 3: [ RUN ] EnumerationHelpersTest.EnumerationArrayCountIsSafe 3: [ OK ] EnumerationHelpersTest.EnumerationArrayCountIsSafe (0 ms) 3: [ RUN ] EnumerationHelpersTest.ArrayRefOfEnumerationArrayWorks 3: [ OK ] EnumerationHelpersTest.ArrayRefOfEnumerationArrayWorks (0 ms) 3: [----------] 4 tests from EnumerationHelpersTest (0 ms total) 3: 3: [----------] 9 tests from FixedCapacityVectorTest 3: [ RUN ] FixedCapacityVectorTest.IsEmpty 3: [ OK ] FixedCapacityVectorTest.IsEmpty (0 ms) 3: [ RUN ] FixedCapacityVectorTest.PushWorks 3: [ OK ] FixedCapacityVectorTest.PushWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.PopWorks 3: [ OK ] FixedCapacityVectorTest.PopWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.ClearWorks 3: [ OK ] FixedCapacityVectorTest.ClearWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.EmplaceBackWorks 3: [ OK ] FixedCapacityVectorTest.EmplaceBackWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.AtThrows 3: [ OK ] FixedCapacityVectorTest.AtThrows (0 ms) 3: [ RUN ] FixedCapacityVectorTest.IteratorWorks 3: [ OK ] FixedCapacityVectorTest.IteratorWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.ReverseIteratorWorks 3: [ OK ] FixedCapacityVectorTest.ReverseIteratorWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.ZeroCapacityWorks 3: [ OK ] FixedCapacityVectorTest.ZeroCapacityWorks (0 ms) 3: [----------] 9 tests from FixedCapacityVectorTest (0 ms total) 3: 3: [----------] 5 tests from InMemorySerializerTest 3: [ RUN ] InMemorySerializerTest.Roundtrip 3: [ OK ] InMemorySerializerTest.Roundtrip (0 ms) 3: [ RUN ] InMemorySerializerTest.RoundtripWithEndianessSwap 3: [ OK ] InMemorySerializerTest.RoundtripWithEndianessSwap (0 ms) 3: [ RUN ] InMemorySerializerTest.SerializerExplicitEndianessSwap 3: [ OK ] InMemorySerializerTest.SerializerExplicitEndianessSwap (0 ms) 3: [ RUN ] InMemorySerializerTest.DeserializerExplicitEndianessSwap 3: [ OK ] InMemorySerializerTest.DeserializerExplicitEndianessSwap (0 ms) 3: [ RUN ] InMemorySerializerTest.SizeIsCorrect 3: [ OK ] InMemorySerializerTest.SizeIsCorrect (0 ms) 3: [----------] 5 tests from InMemorySerializerTest (0 ms total) 3: 3: [----------] 4 tests from KeyValueTreeSerializerTest 3: [ RUN ] KeyValueTreeSerializerTest.EmptyTree 3: [ OK ] KeyValueTreeSerializerTest.EmptyTree (11 ms) 3: [ RUN ] KeyValueTreeSerializerTest.SimpleObject 3: [ OK ] KeyValueTreeSerializerTest.SimpleObject (6 ms) 3: [ RUN ] KeyValueTreeSerializerTest.ObjectWithArrays 3: [ OK ] KeyValueTreeSerializerTest.ObjectWithArrays (4 ms) 3: [ RUN ] KeyValueTreeSerializerTest.ObjectWithObjects 3: [ OK ] KeyValueTreeSerializerTest.ObjectWithObjects (4 ms) 3: [----------] 4 tests from KeyValueTreeSerializerTest (25 ms total) 3: 3: [----------] 6 tests from TreeValueTransformTest 3: [ RUN ] TreeValueTransformTest.SimpleTransforms 3: [ OK ] TreeValueTransformTest.SimpleTransforms (0 ms) 3: [ RUN ] TreeValueTransformTest.SimpleTransformsCaseAndDashInsensitive 3: [ OK ] TreeValueTransformTest.SimpleTransformsCaseAndDashInsensitive (8 ms) 3: [ RUN ] TreeValueTransformTest.SimpleTransformsToObject 3: [ OK ] TreeValueTransformTest.SimpleTransformsToObject (1 ms) 3: [ RUN ] TreeValueTransformTest.ObjectFromString 3: [ OK ] TreeValueTransformTest.ObjectFromString (0 ms) 3: [ RUN ] TreeValueTransformTest.ObjectFromMultipleStrings 3: [ OK ] TreeValueTransformTest.ObjectFromMultipleStrings (4 ms) 3: [ RUN ] TreeValueTransformTest.ScopedTransformRules 3: [ OK ] TreeValueTransformTest.ScopedTransformRules (4 ms) 3: [----------] 6 tests from TreeValueTransformTest (17 ms total) 3: 3: [----------] 1 test from TreeValueTransformErrorTest 3: [ RUN ] TreeValueTransformErrorTest.ConversionError 3: [ OK ] TreeValueTransformErrorTest.ConversionError (0 ms) 3: [----------] 1 test from TreeValueTransformErrorTest (0 ms total) 3: 3: [----------] 7 tests from LoggerTest 3: [ RUN ] LoggerTest.EmptyLoggerWorks 3: [ OK ] LoggerTest.EmptyLoggerWorks (0 ms) 3: [ RUN ] LoggerTest.LogsToStream 3: [ OK ] LoggerTest.LogsToStream (6 ms) 3: [ RUN ] LoggerTest.LogsToFile 3: [ OK ] LoggerTest.LogsToFile (6 ms) 3: [ RUN ] LoggerTest.LevelFilteringWorks 3: [ OK ] LoggerTest.LevelFilteringWorks (2 ms) 3: [ RUN ] LoggerTest.LogsToMultipleStreams 3: [ OK ] LoggerTest.LogsToMultipleStreams (3 ms) 3: [ RUN ] LoggerTest.LogsToMultipleFiles 3: [ OK ] LoggerTest.LogsToMultipleFiles (3 ms) 3: [ RUN ] LoggerTest.LogsToStreamAndFile 3: [ OK ] LoggerTest.LogsToStreamAndFile (2 ms) 3: [----------] 7 tests from LoggerTest (22 ms total) 3: 3: [----------] 4 tests from MutexBasicTest 3: [ RUN ] MutexBasicTest.CanBeMade 3: [ OK ] MutexBasicTest.CanBeMade (0 ms) 3: [ RUN ] MutexBasicTest.CanBeLocked 3: [ OK ] MutexBasicTest.CanBeLocked (0 ms) 3: [ RUN ] MutexBasicTest.CanBeTryLocked 3: [ OK ] MutexBasicTest.CanBeTryLocked (0 ms) 3: [ RUN ] MutexBasicTest.CanBeUsedInLockGuard 3: [ OK ] MutexBasicTest.CanBeUsedInLockGuard (0 ms) 3: [----------] 4 tests from MutexBasicTest (0 ms total) 3: 3: [----------] 3 tests from MutexTaskTest 3: [ RUN ] MutexTaskTest.MutualExclusionWorksWithLock 3: [ OK ] MutexTaskTest.MutualExclusionWorksWithLock (0 ms) 3: [ RUN ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread 3: [ OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread (0 ms) 3: [ RUN ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread 3: [ OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread (0 ms) 3: [----------] 3 tests from MutexTaskTest (0 ms total) 3: 3: [----------] 2 tests from PathTest 3: [ RUN ] PathTest.StripSourcePrefixWorks 3: [ OK ] PathTest.StripSourcePrefixWorks (1 ms) 3: [ RUN ] PathTest.SearchOperationsWork 3: [ OK ] PathTest.SearchOperationsWork (5 ms) 3: [----------] 2 tests from PathTest (6 ms total) 3: 3: [----------] 2 tests from PhysicalNodeCommunicatorTest 3: [ RUN ] PhysicalNodeCommunicatorTest.CanConstruct 3: [ OK ] PhysicalNodeCommunicatorTest.CanConstruct (0 ms) 3: [ RUN ] PhysicalNodeCommunicatorTest.CanCallBarrier 3: [ OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (0 ms) 3: [----------] 2 tests from PhysicalNodeCommunicatorTest (0 ms total) 3: 3: [----------] 9 tests from StringUtilityTest 3: [ RUN ] StringUtilityTest.StartsWith 3: [ OK ] StringUtilityTest.StartsWith (0 ms) 3: [ RUN ] StringUtilityTest.EndsWith 3: [ OK ] StringUtilityTest.EndsWith (0 ms) 3: [ RUN ] StringUtilityTest.StripSuffixIfPresent 3: [ OK ] StringUtilityTest.StripSuffixIfPresent (0 ms) 3: [ RUN ] StringUtilityTest.StripString 3: [ OK ] StringUtilityTest.StripString (0 ms) 3: [ RUN ] StringUtilityTest.SplitString 3: [ OK ] StringUtilityTest.SplitString (0 ms) 3: [ RUN ] StringUtilityTest.SplitDelimitedString 3: [ OK ] StringUtilityTest.SplitDelimitedString (0 ms) 3: [ RUN ] StringUtilityTest.SplitAndTrimDelimitedString 3: [ OK ] StringUtilityTest.SplitAndTrimDelimitedString (0 ms) 3: [ RUN ] StringUtilityTest.CanCompareCaseInsensitive 3: [ OK ] StringUtilityTest.CanCompareCaseInsensitive (0 ms) 3: [ RUN ] StringUtilityTest.CanCompareCaseInsensitiveInLength 3: [ OK ] StringUtilityTest.CanCompareCaseInsensitiveInLength (0 ms) 3: [----------] 9 tests from StringUtilityTest (0 ms total) 3: 3: [----------] 2 tests from FormatStringTest 3: [ RUN ] FormatStringTest.HandlesBasicFormatting 3: [ OK ] FormatStringTest.HandlesBasicFormatting (0 ms) 3: [ RUN ] FormatStringTest.HandlesLongStrings 3: [ OK ] FormatStringTest.HandlesLongStrings (0 ms) 3: [----------] 2 tests from FormatStringTest (1 ms total) 3: 3: [----------] 1 test from StringFormatterTest 3: [ RUN ] StringFormatterTest.HandlesBasicFormatting 3: [ OK ] StringFormatterTest.HandlesBasicFormatting (0 ms) 3: [----------] 1 test from StringFormatterTest (0 ms total) 3: 3: [----------] 1 test from formatAndJoinTest 3: [ RUN ] formatAndJoinTest.Works 3: [ OK ] formatAndJoinTest.Works (0 ms) 3: [----------] 1 test from formatAndJoinTest (0 ms total) 3: 3: [----------] 1 test from JoinStringsTest 3: [ RUN ] JoinStringsTest.Works 3: [ OK ] JoinStringsTest.Works (0 ms) 3: [----------] 1 test from JoinStringsTest (0 ms total) 3: 3: [----------] 6 tests from ReplaceAllTest 3: [ RUN ] ReplaceAllTest.HandlesEmptyStrings 3: [ OK ] ReplaceAllTest.HandlesEmptyStrings (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesNoMatches 3: [ OK ] ReplaceAllTest.HandlesNoMatches (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesMatchesAtEnds 3: [ OK ] ReplaceAllTest.HandlesMatchesAtEnds (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesMultipleMatches 3: [ OK ] ReplaceAllTest.HandlesMultipleMatches (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesWordBoundaries 3: [ OK ] ReplaceAllTest.HandlesWordBoundaries (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesPossibleRecursiveMatches 3: [ OK ] ReplaceAllTest.HandlesPossibleRecursiveMatches (0 ms) 3: [----------] 6 tests from ReplaceAllTest (0 ms total) 3: 3: [----------] 10 tests from TextLineWrapperTest 3: [ RUN ] TextLineWrapperTest.HandlesEmptyStrings 3: [ OK ] TextLineWrapperTest.HandlesEmptyStrings (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesTrailingWhitespace 3: [ OK ] TextLineWrapperTest.HandlesTrailingWhitespace (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesTrailingNewlines 3: [ OK ] TextLineWrapperTest.HandlesTrailingNewlines (0 ms) 3: [ RUN ] TextLineWrapperTest.WrapsCorrectly 3: [ OK ] TextLineWrapperTest.WrapsCorrectly (1 ms) 3: [ RUN ] TextLineWrapperTest.WrapsCorrectlyWithExistingBreaks 3: [ OK ] TextLineWrapperTest.WrapsCorrectlyWithExistingBreaks (1 ms) 3: [ RUN ] TextLineWrapperTest.HandlesIndent 3: [ OK ] TextLineWrapperTest.HandlesIndent (3 ms) 3: [ RUN ] TextLineWrapperTest.HandlesIndentWithEmptyLines 3: [ OK ] TextLineWrapperTest.HandlesIndentWithEmptyLines (1 ms) 3: [ RUN ] TextLineWrapperTest.HandlesHangingIndent 3: [ OK ] TextLineWrapperTest.HandlesHangingIndent (1 ms) 3: [ RUN ] TextLineWrapperTest.HandlesContinuationCharacter 3: [ OK ] TextLineWrapperTest.HandlesContinuationCharacter (2 ms) 3: [ RUN ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace 3: [ OK ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace (1 ms) 3: [----------] 10 tests from TextLineWrapperTest (10 ms total) 3: 3: [----------] 6 tests from TextWriterTest 3: [ RUN ] TextWriterTest.WritesLines 3: [ OK ] TextWriterTest.WritesLines (1 ms) 3: [ RUN ] TextWriterTest.WritesLinesInParts 3: [ OK ] TextWriterTest.WritesLinesInParts (3 ms) 3: [ RUN ] TextWriterTest.WritesWrappedLines 3: [ OK ] TextWriterTest.WritesWrappedLines (46 ms) 3: [ RUN ] TextWriterTest.WritesLinesInPartsWithWrapper 3: [ OK ] TextWriterTest.WritesLinesInPartsWithWrapper (0 ms) 3: [ RUN ] TextWriterTest.TracksNewlines 3: [ OK ] TextWriterTest.TracksNewlines (1 ms) 3: [ RUN ] TextWriterTest.PreservesTrailingWhitespace 3: [ OK ] TextWriterTest.PreservesTrailingWhitespace (0 ms) 3: [----------] 6 tests from TextWriterTest (51 ms total) 3: 3: [----------] 1 test from TypeTraitsTest 3: [ RUN ] TypeTraitsTest.IsIntegralConstant 3: [ OK ] TypeTraitsTest.IsIntegralConstant (0 ms) 3: [----------] 1 test from TypeTraitsTest (0 ms total) 3: 3: [----------] 6 tests from BitmaskTest32_11/BitmaskTest32 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.SetAndClear/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.SetAndClear/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.InitBit/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.InitBit/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.InitLowBits/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.InitLowBits/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.Disjoint/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.Disjoint/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.Union/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.Union/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.ToHex/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.ToHex/0 (0 ms) 3: [----------] 6 tests from BitmaskTest32_11/BitmaskTest32 (0 ms total) 3: 3: [----------] 12 tests from BitmaskTest64_10_42/BitmaskTest64 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitBit/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitBit/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitBit/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitBit/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Union/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Union/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Union/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Union/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.ToHex/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.ToHex/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.ToHex/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.ToHex/1 (0 ms) 3: [----------] 12 tests from BitmaskTest64_10_42/BitmaskTest64 (1 ms total) 3: 3: [----------] 12 tests from BitmaskTest128_9_78/BitmaskTest128 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitBit/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitBit/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitBit/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitBit/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Union/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Union/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Union/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Union/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.ToHex/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.ToHex/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.ToHex/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.ToHex/1 (0 ms) 3: [----------] 12 tests from BitmaskTest128_9_78/BitmaskTest128 (0 ms total) 3: 3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 (1 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2 (0 ms) 3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest (1 ms total) 3: 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/0 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/0 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/1 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/1 (1 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/2 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/2 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/3 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/3 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/4 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/4 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/5 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/5 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/6 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/6 (0 ms) 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest (1 ms total) 3: 3: [----------] Global test environment tear-down 3: [==========] 347 tests from 56 test cases ran. (142 ms total) 3: [ PASSED ] 347 tests. 3/30 Test #3: UtilityUnitTests ................. Passed 0.21 sec test 4 Start 4: UtilityMpiUnitTests 4: Test command: /usr/bin/mpiexec.mpich "-np" "4" "-host" "localhost" "/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/utility-mpi-test" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/UtilityMpiUnitTests.xml" 4: Test timeout computed to be: 30 4: [==========] Running 2 tests from 1 test case. 4: [----------] Global test environment set-up. 4: [----------] 2 tests from PhysicalNodeCommunicatorTest 4: [ RUN ] PhysicalNodeCommunicatorTest.CanConstruct 4: [ OK ] PhysicalNodeCommunicatorTest.CanConstruct (1 ms) 4: [ RUN ] PhysicalNodeCommunicatorTest.CanCallBarrier 4: [ OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (0 ms) 4: [----------] 2 tests from PhysicalNodeCommunicatorTest (1 ms total) 4: 4: [----------] Global test environment tear-down 4: [==========] 2 tests from 1 test case ran. (1 ms total) 4: [ PASSED ] 2 tests. 4/30 Test #4: UtilityMpiUnitTests .............. Passed 0.05 sec test 5 Start 5: MdlibUnitTest 5: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/mdlib-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/MdlibUnitTest.xml" 5: Test timeout computed to be: 30 5: [==========] Running 187 tests from 13 test cases. 5: [----------] Global test environment set-up. 5: [----------] 1 test from VerletBufferConstraintTest 5: [ RUN ] VerletBufferConstraintTest.EqualMasses 5: [ OK ] VerletBufferConstraintTest.EqualMasses (0 ms) 5: [----------] 1 test from VerletBufferConstraintTest (0 ms total) 5: 5: [----------] 2 tests from PrEbinTest 5: [ RUN ] PrEbinTest.HandlesAverages 5: [ OK ] PrEbinTest.HandlesAverages (200 ms) 5: [ RUN ] PrEbinTest.HandlesEmptyAverages 5: [ OK ] PrEbinTest.HandlesEmptyAverages (22 ms) 5: [----------] 2 tests from PrEbinTest (222 ms total) 5: 5: [----------] 4 tests from ShakeTest 5: [ RUN ] ShakeTest.ConstrainsOneBond 5: [ OK ] ShakeTest.ConstrainsOneBond (0 ms) 5: [ RUN ] ShakeTest.ConstrainsTwoDisjointBonds 5: [ OK ] ShakeTest.ConstrainsTwoDisjointBonds (0 ms) 5: [ RUN ] ShakeTest.ConstrainsTwoBondsWithACommonAtom 5: [ OK ] ShakeTest.ConstrainsTwoBondsWithACommonAtom (0 ms) 5: [ RUN ] ShakeTest.ConstrainsThreeBondsWithCommonAtoms 5: [ OK ] ShakeTest.ConstrainsThreeBondsWithCommonAtoms (0 ms) 5: [----------] 4 tests from ShakeTest (0 ms total) 5: 5: [----------] 1 test from NullSignalTest 5: [ RUN ] NullSignalTest.NullSignallerWorks 5: [ OK ] NullSignalTest.NullSignallerWorks (0 ms) 5: [----------] 1 test from NullSignalTest (0 ms total) 5: 5: [----------] 7 tests from SignalTest 5: [ RUN ] SignalTest.NoSignalPropagatesIfNoSignallingTakesPlace 5: [ OK ] SignalTest.NoSignalPropagatesIfNoSignallingTakesPlace (0 ms) 5: [ RUN ] SignalTest.LocalIntraSimSignalPropagatesWhenIntraSimSignalTakesPlace 5: [ OK ] SignalTest.LocalIntraSimSignalPropagatesWhenIntraSimSignalTakesPlace (0 ms) 5: [ RUN ] SignalTest.LocalIntraSimSignalPropagatesWhenInterSimTakesPlace 5: [ OK ] SignalTest.LocalIntraSimSignalPropagatesWhenInterSimTakesPlace (0 ms) 5: [ RUN ] SignalTest.LocalIntraSimSignalPropagatesWhenBothTakePlace 5: [ OK ] SignalTest.LocalIntraSimSignalPropagatesWhenBothTakePlace (0 ms) 5: [ RUN ] SignalTest.NonLocalSignalDoesntPropagateWhenIntraSimSignalTakesPlace 5: [ OK ] SignalTest.NonLocalSignalDoesntPropagateWhenIntraSimSignalTakesPlace (0 ms) 5: [ RUN ] SignalTest.NonLocalSignalPropagatesWhenInterSimSignalTakesPlace 5: [ OK ] SignalTest.NonLocalSignalPropagatesWhenInterSimSignalTakesPlace (0 ms) 5: [ RUN ] SignalTest.NonLocalSignalPropagatesWhenBothTakePlace 5: [ OK ] SignalTest.NonLocalSignalPropagatesWhenBothTakePlace (0 ms) 5: [----------] 7 tests from SignalTest (0 ms total) 5: 5: [----------] 9 tests from UpdateGroups 5: [ RUN ] UpdateGroups.ethaneUA 5: [ OK ] UpdateGroups.ethaneUA (0 ms) 5: [ RUN ] UpdateGroups.methane 5: [ OK ] UpdateGroups.methane (0 ms) 5: [ RUN ] UpdateGroups.ethane 5: [ OK ] UpdateGroups.ethane (0 ms) 5: [ RUN ] UpdateGroups.butaneUA 5: [ OK ] UpdateGroups.butaneUA (0 ms) 5: [ RUN ] UpdateGroups.waterThreeSite 5: [ OK ] UpdateGroups.waterThreeSite (0 ms) 5: [ RUN ] UpdateGroups.waterFourSite 5: [ OK ] UpdateGroups.waterFourSite (0 ms) 5: [ RUN ] UpdateGroups.fourAtomsWithSettle 5: [ OK ] UpdateGroups.fourAtomsWithSettle (0 ms) 5: [ RUN ] UpdateGroups.waterFlexAngle 5: [ OK ] UpdateGroups.waterFlexAngle (0 ms) 5: [ RUN ] UpdateGroups.twoMoltypes 5: [ OK ] UpdateGroups.twoMoltypes (0 ms) 5: [----------] 9 tests from UpdateGroups (0 ms total) 5: 5: [----------] 1 test from UpdateGroupsCog 5: [ RUN ] UpdateGroupsCog.ComputesCogs 5: [ OK ] UpdateGroupsCog.ComputesCogs (13 ms) 5: [----------] 1 test from UpdateGroupsCog (13 ms total) 5: 5: [----------] 84 tests from WithParameters/ConstraintsTest 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/0 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/1 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/2 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/3 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/8 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/9 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/10 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/11 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/0 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/1 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/2 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/3 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/4 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/5 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/6 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/7 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/8 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/9 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/10 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/11 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/12 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/12 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/13 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/13 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/14 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/14 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/15 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/15 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/8 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/8 (1 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/9 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/10 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/11 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/12 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/12 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/13 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/13 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/14 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/14 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/15 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/15 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/16 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/16 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/17 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/17 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/18 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/18 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/19 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/19 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/8 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/9 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/10 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/11 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/12 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/12 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/13 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/13 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/14 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/14 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/15 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/15 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/16 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/16 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/17 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/17 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/18 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/18 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/19 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/19 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/20 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/20 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/21 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/21 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/22 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/22 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/23 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/23 (0 ms) 5: [----------] 84 tests from WithParameters/ConstraintsTest (6 ms total) 5: 5: [----------] 11 tests from WithParameters/EnergyOutputTest 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/0 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_0.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (81 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/1 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_1.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (12 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/2 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_2.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (44 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/3 5: [ OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (27 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/4 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_4.edr as single precision energy file 5: Reading energy frame 0 time 10.100 Reading energy frame 1 time 27.500 Reading energy frame 2 time 44.900 Reading energy frame 3 time 62.300 Reading energy frame 4 time 79.700 Reading energy frame 5 time 97.100 Reading energy frame 6 time 114.500 Reading energy frame 7 time 131.900 Reading energy frame 8 time 149.300 Reading energy frame 9 time 166.700 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (51 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/5 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_5.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (20 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/6 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_6.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (36 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/7 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_7.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (36 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/8 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_8.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (155 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/9 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_9.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (3 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/10 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_10.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (67 ms) 5: [----------] 11 tests from WithParameters/EnergyOutputTest (535 ms total) 5: 5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/1 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/1 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/2 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/2 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/3 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/3 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/4 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/4 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/5 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/5 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/6 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/6 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/7 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/7 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/0 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/0 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/1 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/1 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/2 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/2 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/3 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/3 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/4 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/4 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/5 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/5 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/6 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/6 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/7 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/7 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/0 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/0 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/1 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/1 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/2 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/2 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/3 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/3 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/4 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/4 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/5 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/5 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/6 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/6 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/7 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/7 (0 ms) 5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple (1 ms total) 5: 5: [----------] 14 tests from RegressionTests/CalculateAcceptanceWeightRangeRegression 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/0 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/0 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/1 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/1 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/2 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/2 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/3 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/3 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/4 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/4 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/5 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/5 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/6 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/6 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/7 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/7 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/8 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/8 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/9 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/9 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/10 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/10 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/11 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/11 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/12 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/12 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/13 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/13 (0 ms) 5: [----------] 14 tests from RegressionTests/CalculateAcceptanceWeightRangeRegression (0 ms total) 5: 5: [----------] 16 tests from WithParameters/LeapFrogTest 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/0 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/0 (7 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/1 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/1 (1 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/2 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/2 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/3 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/3 (10 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/4 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/4 (8 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/5 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (2 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/6 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (14 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/7 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/7 (1 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/8 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/8 (1 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/9 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/9 (16 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/10 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (10 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/11 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/11 (3 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/12 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/12 (2 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/13 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (2 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/14 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (44 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/15 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (3 ms) 5: [----------] 16 tests from WithParameters/LeapFrogTest (128 ms total) 5: 5: [----------] 13 tests from WithParameters/SettleTest 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/0 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/0 (0 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/1 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/1 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/2 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/2 (0 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/3 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/3 (19 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/4 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/4 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/5 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/5 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/6 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/6 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/7 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/7 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/8 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/8 (9 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/9 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/9 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/10 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/10 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/11 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (5 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/12 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (2 ms) 5: [----------] 13 tests from WithParameters/SettleTest (43 ms total) 5: 5: [----------] Global test environment tear-down 5: [==========] 187 tests from 13 test cases ran. (948 ms total) 5: [ PASSED ] 187 tests. 5/30 Test #5: MdlibUnitTest .................... Passed 0.99 sec test 6 Start 6: AppliedForcesUnitTest 6: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/applied_forces-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/AppliedForcesUnitTest.xml" 6: Test timeout computed to be: 30 6: [==========] Running 20 tests from 4 test cases. 6: [----------] Global test environment set-up. 6: [----------] 2 tests from DensityFittingTest 6: [ RUN ] DensityFittingTest.ForceProviderLackingInputThrows 6: [ OK ] DensityFittingTest.ForceProviderLackingInputThrows (0 ms) 6: [ RUN ] DensityFittingTest.SingleAtom 6: [ OK ] DensityFittingTest.SingleAtom (8 ms) 6: [----------] 2 tests from DensityFittingTest (8 ms total) 6: 6: [----------] 8 tests from DensityFittingOptionsTest 6: [ RUN ] DensityFittingOptionsTest.DefaultParameters 6: [ OK ] DensityFittingOptionsTest.DefaultParameters (0 ms) 6: [ RUN ] DensityFittingOptionsTest.OptionSetsActive 6: [ OK ] DensityFittingOptionsTest.OptionSetsActive (0 ms) 6: [ RUN ] DensityFittingOptionsTest.OutputNoDefaultValuesWhenInactive 6: [ OK ] DensityFittingOptionsTest.OutputNoDefaultValuesWhenInactive (0 ms) 6: [ RUN ] DensityFittingOptionsTest.OutputDefaultValuesWhenActive 6: [ OK ] DensityFittingOptionsTest.OutputDefaultValuesWhenActive (0 ms) 6: [ RUN ] DensityFittingOptionsTest.CanConvertGroupStringToIndexGroup 6: [ OK ] DensityFittingOptionsTest.CanConvertGroupStringToIndexGroup (0 ms) 6: [ RUN ] DensityFittingOptionsTest.InternalsToKvt 6: [ OK ] DensityFittingOptionsTest.InternalsToKvt (0 ms) 6: [ RUN ] DensityFittingOptionsTest.KvtToInternal 6: [ OK ] DensityFittingOptionsTest.KvtToInternal (1 ms) 6: [ RUN ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent 6: [ OK ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent (0 ms) 6: [----------] 8 tests from DensityFittingOptionsTest (1 ms total) 6: 6: [----------] 7 tests from DensityFittingAmplitudeLookupTest 6: [ RUN ] DensityFittingAmplitudeLookupTest.Unity 6: [ OK ] DensityFittingAmplitudeLookupTest.Unity (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.Charge 6: [ OK ] DensityFittingAmplitudeLookupTest.Charge (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.Masses 6: [ OK ] DensityFittingAmplitudeLookupTest.Masses (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanCopyAssign 6: [ OK ] DensityFittingAmplitudeLookupTest.CanCopyAssign (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanCopyConstruct 6: [ OK ] DensityFittingAmplitudeLookupTest.CanCopyConstruct (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanMoveAssign 6: [ OK ] DensityFittingAmplitudeLookupTest.CanMoveAssign (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanMoveConstruct 6: [ OK ] DensityFittingAmplitudeLookupTest.CanMoveConstruct (0 ms) 6: [----------] 7 tests from DensityFittingAmplitudeLookupTest (0 ms total) 6: 6: [----------] 3 tests from ElectricFieldTest 6: [ RUN ] ElectricFieldTest.Static 6: [ OK ] ElectricFieldTest.Static (0 ms) 6: [ RUN ] ElectricFieldTest.Oscillating 6: [ OK ] ElectricFieldTest.Oscillating (0 ms) 6: [ RUN ] ElectricFieldTest.Pulsed 6: [ OK ] ElectricFieldTest.Pulsed (0 ms) 6: [----------] 3 tests from ElectricFieldTest (0 ms total) 6: 6: [----------] Global test environment tear-down 6: [==========] 20 tests from 4 test cases ran. (9 ms total) 6: [ PASSED ] 20 tests. 6/30 Test #6: AppliedForcesUnitTest ............ Passed 0.05 sec test 7 Start 7: CommandLineUnitTests 7: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/commandline-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/CommandLineUnitTests.xml" 7: Test timeout computed to be: 30 7: [==========] Running 59 tests from 7 test cases. 7: [----------] Global test environment set-up. 7: [----------] 3 tests from CommandLineHelpModuleTest 7: [ RUN ] CommandLineHelpModuleTest.PrintsGeneralHelp 7: [ OK ] CommandLineHelpModuleTest.PrintsGeneralHelp (10 ms) 7: [ RUN ] CommandLineHelpModuleTest.PrintsHelpOnTopic 7: [ OK ] CommandLineHelpModuleTest.PrintsHelpOnTopic (9 ms) 7: [ RUN ] CommandLineHelpModuleTest.ExportsHelp 7: [ OK ] CommandLineHelpModuleTest.ExportsHelp (5 ms) 7: [----------] 3 tests from CommandLineHelpModuleTest (24 ms total) 7: 7: [----------] 7 tests from CommandLineHelpWriterTest 7: [ RUN ] CommandLineHelpWriterTest.HandlesOptionTypes 7: [ OK ] CommandLineHelpWriterTest.HandlesOptionTypes (11 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables 7: [ OK ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables (4 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesLongFileOptions 7: [ OK ] CommandLineHelpWriterTest.HandlesLongFileOptions (4 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesLongOptions 7: [ OK ] CommandLineHelpWriterTest.HandlesLongOptions (12 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesOptionGroups 7: [ OK ] CommandLineHelpWriterTest.HandlesOptionGroups (1 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesHelpText 7: [ OK ] CommandLineHelpWriterTest.HandlesHelpText (5 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesKnownIssues 7: [ OK ] CommandLineHelpWriterTest.HandlesKnownIssues (6 ms) 7: [----------] 7 tests from CommandLineHelpWriterTest (43 ms total) 7: 7: [----------] 6 tests from CommandLineModuleManagerTest 7: [ RUN ] CommandLineModuleManagerTest.RunsModule 7: [ OK ] CommandLineModuleManagerTest.RunsModule (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelp 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelp (1 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelpAfterQuiet 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelpAfterQuiet (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelpWithDashH 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashH (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames 7: [ OK ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames (0 ms) 7: [----------] 6 tests from CommandLineModuleManagerTest (1 ms total) 7: 7: [----------] 13 tests from CommandLineParserTest 7: [ RUN ] CommandLineParserTest.HandlesSingleValues 7: [ OK ] CommandLineParserTest.HandlesSingleValues (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesBooleanWithoutArgument 7: [ OK ] CommandLineParserTest.HandlesBooleanWithoutArgument (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesBooleanAsNoWithoutArgument 7: [ OK ] CommandLineParserTest.HandlesBooleanAsNoWithoutArgument (0 ms) 7: [ RUN ] CommandLineParserTest.ThrowsWithBooleanAsNoWithArgument 7: [ OK ] CommandLineParserTest.ThrowsWithBooleanAsNoWithArgument (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesNegativeNumbers 7: [ OK ] CommandLineParserTest.HandlesNegativeNumbers (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesString 7: [ OK ] CommandLineParserTest.HandlesString (0 ms) 7: [ RUN ] CommandLineParserTest.RejectsStringWithMultipleValues 7: [ OK ] CommandLineParserTest.RejectsStringWithMultipleValues (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesDoubleDashOptionPrefix 7: [ OK ] CommandLineParserTest.HandlesDoubleDashOptionPrefix (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesOptionsStartingWithNumbers 7: [ OK ] CommandLineParserTest.HandlesOptionsStartingWithNumbers (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesSkipUnknown 7: [ OK ] CommandLineParserTest.HandlesSkipUnknown (0 ms) 7: [ RUN ] CommandLineParserTest.RejectsPositionalArgumentsByDefault 7: [ OK ] CommandLineParserTest.RejectsPositionalArgumentsByDefault (0 ms) 7: [ RUN ] CommandLineParserTest.CanAllowPositionalArguments 7: [ OK ] CommandLineParserTest.CanAllowPositionalArguments (0 ms) 7: [ RUN ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions 7: [ OK ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions (0 ms) 7: [----------] 13 tests from CommandLineParserTest (1 ms total) 7: 7: [----------] 6 tests from CommandLineProgramContextTest 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryWithAbsolutePath 7: [ OK ] CommandLineProgramContextTest.FindsBinaryWithAbsolutePath (18 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryWithRelativePath 7: [ OK ] CommandLineProgramContextTest.FindsBinaryWithRelativePath (0 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromPath 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromPath (0 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromCurrentDirectory 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromCurrentDirectory (0 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromAbsoluteSymLink 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromAbsoluteSymLink (4 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromRelativeSymLink 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromRelativeSymLink (0 ms) 7: [----------] 6 tests from CommandLineProgramContextTest (22 ms total) 7: 7: [----------] 3 tests from OutputNamesTest 7: [ RUN ] OutputNamesTest.CanBeSuffixed 7: [ OK ] OutputNamesTest.CanBeSuffixed (0 ms) 7: [ RUN ] OutputNamesTest.HasSuffixFromNoAppend 7: [ OK ] OutputNamesTest.HasSuffixFromNoAppend (0 ms) 7: [ RUN ] OutputNamesTest.CanHavePartNumberAdded 7: [ OK ] OutputNamesTest.CanHavePartNumberAdded (0 ms) 7: [----------] 3 tests from OutputNamesTest (0 ms total) 7: 7: [----------] 21 tests from ParseCommonArgsTest 7: [ RUN ] ParseCommonArgsTest.ParsesIntegerArgs 7: [ OK ] ParseCommonArgsTest.ParsesIntegerArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesInt64Args 7: [ OK ] ParseCommonArgsTest.ParsesInt64Args (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesRealArgs 7: [ OK ] ParseCommonArgsTest.ParsesRealArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesStringArgs 7: [ OK ] ParseCommonArgsTest.ParsesStringArgs (1 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesBooleanArgs 7: [ OK ] ParseCommonArgsTest.ParsesBooleanArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesVectorArgs 7: [ OK ] ParseCommonArgsTest.ParsesVectorArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesTimeArgs 7: [ OK ] ParseCommonArgsTest.ParsesTimeArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesTimeArgsWithTimeUnit 7: [ OK ] ParseCommonArgsTest.ParsesTimeArgsWithTimeUnit (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesEnumArgs 7: [ OK ] ParseCommonArgsTest.ParsesEnumArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesFileArgs 7: [ OK ] ParseCommonArgsTest.ParsesFileArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesFileArgsWithDefaults 7: [ OK ] ParseCommonArgsTest.ParsesFileArgsWithDefaults (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesFileArgsWithDefaultFileName 7: [ OK ] ParseCommonArgsTest.ParsesFileArgsWithDefaultFileName (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParseFileArgsWithCustomDefaultExtension 7: [ OK ] ParseCommonArgsTest.ParseFileArgsWithCustomDefaultExtension (0 ms) 7: [ RUN ] ParseCommonArgsTest.HandlesNonExistentInputFiles 7: [ OK ] ParseCommonArgsTest.HandlesNonExistentInputFiles (0 ms) 7: [ RUN ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles 7: [ OK ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles (0 ms) 7: [ RUN ] ParseCommonArgsTest.AcceptsNonExistentInputFilesIfSpecified 7: [ OK ] ParseCommonArgsTest.AcceptsNonExistentInputFilesIfSpecified (0 ms) 7: [ RUN ] ParseCommonArgsTest.HandlesCompressedFiles 7: [ OK ] ParseCommonArgsTest.HandlesCompressedFiles (8 ms) 7: [ RUN ] ParseCommonArgsTest.AcceptsUnknownTrajectoryExtension 7: [ OK ] ParseCommonArgsTest.AcceptsUnknownTrajectoryExtension (0 ms) 7: [ RUN ] ParseCommonArgsTest.CompletesExtensionFromExistingFile 7: [ OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFile (1 ms) 7: [ RUN ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName 7: [ OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (0 ms) 7: [ RUN ] ParseCommonArgsTest.CanKeepUnknownArgs 7: [ OK ] ParseCommonArgsTest.CanKeepUnknownArgs (0 ms) 7: [----------] 21 tests from ParseCommonArgsTest (10 ms total) 7: 7: [----------] Global test environment tear-down 7: [==========] 59 tests from 7 test cases ran. (101 ms total) 7: [ PASSED ] 59 tests. 7/30 Test #7: CommandLineUnitTests ............. Passed 0.12 sec test 8 Start 8: DomDecTests 8: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/domdec-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/DomDecTests.xml" 8: Test timeout computed to be: 30 8: [==========] Running 9 tests from 2 test cases. 8: [----------] Global test environment set-up. 8: [----------] 7 tests from HashedMap 8: [ RUN ] HashedMap.InsertsFinds 8: [ OK ] HashedMap.InsertsFinds (0 ms) 8: [ RUN ] HashedMap.NegativeKeysWork 8: [ OK ] HashedMap.NegativeKeysWork (0 ms) 8: [ RUN ] HashedMap.InsertsErases 8: [ OK ] HashedMap.InsertsErases (0 ms) 8: [ RUN ] HashedMap.InsertsOrAssigns 8: [ OK ] HashedMap.InsertsOrAssigns (0 ms) 8: [ RUN ] HashedMap.Clears 8: [ OK ] HashedMap.Clears (0 ms) 8: [ RUN ] HashedMap.LinkedEntries 8: [ OK ] HashedMap.LinkedEntries (0 ms) 8: [ RUN ] HashedMap.ResizesTable 8: [ OK ] HashedMap.ResizesTable (0 ms) 8: [----------] 7 tests from HashedMap (0 ms total) 8: 8: [----------] 2 tests from LocalAtomSetManager 8: [ RUN ] LocalAtomSetManager.CanAddEmptyLocalAtomSet 8: [ OK ] LocalAtomSetManager.CanAddEmptyLocalAtomSet (0 ms) 8: [ RUN ] LocalAtomSetManager.CanAddandReadLocalAtomSetIndices 8: [ OK ] LocalAtomSetManager.CanAddandReadLocalAtomSetIndices (0 ms) 8: [----------] 2 tests from LocalAtomSetManager (0 ms total) 8: 8: [----------] Global test environment tear-down 8: [==========] 9 tests from 2 test cases ran. (0 ms total) 8: [ PASSED ] 9 tests. 8/30 Test #8: DomDecTests ...................... Passed 0.03 sec test 9 Start 9: EwaldUnitTests 9: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/ewald-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/EwaldUnitTests.xml" 9: Test timeout computed to be: 30 9: [==========] Running 257 tests from 10 test cases. 9: [----------] Global test environment set-up. 9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 (1 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1 (0 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2 (0 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 (5 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4 (0 ms) 9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest (6 ms total) 9: 9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 (4 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (3 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (35 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (12 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (8 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (1 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (3 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (7 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 (22 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 (7 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (18 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 (4 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (10 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 (4 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 (10 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 (8 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (1 ms) 9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (179 ms total) 9: 9: [----------] 144 tests from SaneInput/PmeGatherTest 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/0 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/0 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/1 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/1 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/2 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/2 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/3 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/3 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/4 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/4 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/5 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/5 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/6 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/6 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/7 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/7 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/8 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/8 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/9 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/9 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/10 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/10 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/11 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/11 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/12 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/12 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/13 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/13 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/14 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/14 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/15 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/15 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/16 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/16 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/17 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/17 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/18 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/18 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/19 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/19 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/20 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/20 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/21 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/21 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/22 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/22 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/23 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/23 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/24 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/24 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/25 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/25 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/26 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/26 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/27 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/27 (9 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/28 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/28 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/29 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/29 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/30 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/30 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/31 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/31 (9 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/32 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/32 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/33 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/33 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/34 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/34 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/35 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/35 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/36 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/36 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/37 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/37 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/38 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/38 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/39 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/39 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/40 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/40 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/41 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/41 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/42 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/42 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/43 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/43 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/44 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/44 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/45 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/45 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/46 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/46 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/47 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/47 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/48 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/48 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/49 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/49 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/50 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/50 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/51 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/51 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/52 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/52 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/53 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/53 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/54 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/54 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/55 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/55 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/56 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/56 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/57 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/57 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/58 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/58 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/59 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/59 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/60 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/60 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/61 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/61 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/62 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/62 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/63 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/63 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/64 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/64 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/65 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/65 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/66 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/66 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/67 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/67 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/68 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/68 (8 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/69 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/69 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/70 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/70 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/71 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/71 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/72 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/72 (10 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/73 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/73 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/74 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/74 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/75 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/75 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/76 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/76 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/77 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/77 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/78 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/78 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/79 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/79 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/80 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/80 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/81 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/81 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/82 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/82 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/83 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/83 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/84 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/84 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/85 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/85 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/86 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/86 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/87 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/87 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/88 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/88 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/89 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/89 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/90 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/90 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/91 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/91 (7 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/92 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/92 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/93 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/93 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/94 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/94 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/95 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/95 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/96 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/96 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/97 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/97 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/98 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/98 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/99 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/99 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/100 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/100 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/101 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/101 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/102 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/102 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/103 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/103 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/104 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/104 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/105 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/105 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/106 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/106 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/107 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/107 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/108 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/108 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/109 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/109 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/110 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/110 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/111 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/111 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/112 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/112 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/113 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/113 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/114 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/114 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/115 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/115 (3 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/116 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/116 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/117 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/117 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/118 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/118 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/119 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/119 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/120 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/120 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/121 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/121 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/122 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/122 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/123 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/123 (4 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/124 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/124 (6 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/125 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/125 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/126 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/126 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/127 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/127 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/128 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/128 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/129 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/129 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/130 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/130 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/131 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/131 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/132 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/132 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/133 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/133 (5 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/134 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/134 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/135 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/135 (2 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/136 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/136 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/137 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/137 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/138 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/138 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/139 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/139 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/140 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/140 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/141 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/141 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/142 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/142 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/143 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/143 (0 ms) 9: [----------] 144 tests from SaneInput/PmeGatherTest (279 ms total) 9: 9: [----------] 16 tests from SaneInput/PmeSolveTest 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/0 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/1 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/2 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/3 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/4 (3 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/5 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/6 (0 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/7 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/8 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/8 (0 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/9 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/9 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/10 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/10 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/11 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/11 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/12 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/12 (0 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/13 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/13 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/14 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/14 (0 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/15 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/15 (1 ms) 9: [----------] 16 tests from SaneInput/PmeSolveTest (19 ms total) 9: 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2 (0 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 (3 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 (2 ms) 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest (10 ms total) 9: 9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 (2 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 (7 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2 (2 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3 (2 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4 (2 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5 (3 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 (3 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 (8 ms) 9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest (29 ms total) 9: 9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4 (0 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/5 (0 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 (1 ms) 9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest (18 ms total) 9: 9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0 (1 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1 (3 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2 (1 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3 (1 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 (1 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 (5 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 (1 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 (1 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 (2 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 (3 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 (2 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 (3 ms) 9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest (25 ms total) 9: 9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 (1 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1 (1 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2 (1 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3 (2 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4 (1 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5 (2 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/6 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/6 (1 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7 (1 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8 (2 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 (6 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 (3 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11 (6 ms) 9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest (30 ms total) 9: 9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 (4 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 (5 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 (10 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 (5 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4 (7 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5 (9 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6 (11 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 (4 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 (5 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 (5 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 (5 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 (6 ms) 9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest (79 ms total) 9: 9: [----------] Global test environment tear-down 9: [==========] 257 tests from 10 test cases ran. (1083 ms total) 9: [ PASSED ] 257 tests. 9/30 Test #9: EwaldUnitTests ................... Passed 1.18 sec test 10 Start 10: FFTUnitTests 10: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/fft-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/FFTUnitTests.xml" 10: Test timeout computed to be: 30 10: [==========] Running 14 tests from 4 test cases. 10: [----------] Global test environment set-up. 10: [----------] 2 tests from ManyFFTTest 10: [ RUN ] ManyFFTTest.Complex1DLength48Multi5Test 10: [ OK ] ManyFFTTest.Complex1DLength48Multi5Test (25 ms) 10: [ RUN ] ManyFFTTest.Real1DLength48Multi5Test 10: [ OK ] ManyFFTTest.Real1DLength48Multi5Test (61 ms) 10: [----------] 2 tests from ManyFFTTest (88 ms total) 10: 10: [----------] 1 test from FFTTest 10: [ RUN ] FFTTest.Real2DLength18_15Test 10: [ OK ] FFTTest.Real2DLength18_15Test (15 ms) 10: [----------] 1 test from FFTTest (15 ms total) 10: 10: [----------] 1 test from FFFTest3D 10: [ RUN ] FFFTest3D.Real5_6_9 10: [ OK ] FFFTest3D.Real5_6_9 (3 ms) 10: [----------] 1 test from FFFTest3D (4 ms total) 10: 10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/0 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (0 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/1 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (7 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/2 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/2 (6 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/3 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (4 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/4 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (2 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/0 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/0 (0 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/1 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/1 (1 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/2 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/2 (1 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/3 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/3 (21 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/4 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/4 (38 ms) 10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (82 ms total) 10: 10: [----------] Global test environment tear-down 10: [==========] 14 tests from 4 test cases ran. (189 ms total) 10: [ PASSED ] 14 tests. 10/30 Test #10: FFTUnitTests ..................... Passed 0.22 sec test 11 Start 11: GpuUtilsUnitTests 11: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/gpu_utils-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/GpuUtilsUnitTests.xml" 11: Test timeout computed to be: 30 11: [==========] Running 62 tests from 20 test cases. 11: [----------] Global test environment set-up. 11: [----------] 2 tests from ClfftInitializer 11: [ RUN ] ClfftInitializer.SingleInitializationWorks 11: [ OK ] ClfftInitializer.SingleInitializationWorks (0 ms) 11: [ RUN ] ClfftInitializer.TwoInitializationsWork 11: [ OK ] ClfftInitializer.TwoInitializationsWork (0 ms) 11: [----------] 2 tests from ClfftInitializer (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/0, where TypeParam = int 11: [ RUN ] HostAllocatorTest/0.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/0.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/0.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/0.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/0 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/1, where TypeParam = float 11: [ RUN ] HostAllocatorTest/1.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/1.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/1.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/1.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/1 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTest/2.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/2.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/2.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/2.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/2 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/3, where TypeParam = gmx::test::MoveOnly 11: [ RUN ] HostAllocatorTest/3.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/3.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/3.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/3.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/3 (0 ms total) 11: 11: [----------] 3 tests from HostAllocatorTestCopyable/0, where TypeParam = int 11: [ RUN ] HostAllocatorTestCopyable/0.VectorsWithDefaultHostAllocatorAlwaysWorks 11: [ OK ] HostAllocatorTestCopyable/0.VectorsWithDefaultHostAllocatorAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/0.TransfersWithoutPinningWork 11: [ OK ] HostAllocatorTestCopyable/0.TransfersWithoutPinningWork (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/0.FillInputAlsoWorksAfterCallingReserve 11: [ OK ] HostAllocatorTestCopyable/0.FillInputAlsoWorksAfterCallingReserve (0 ms) 11: [----------] 3 tests from HostAllocatorTestCopyable/0 (0 ms total) 11: 11: [----------] 3 tests from HostAllocatorTestCopyable/1, where TypeParam = float 11: [ RUN ] HostAllocatorTestCopyable/1.VectorsWithDefaultHostAllocatorAlwaysWorks 11: [ OK ] HostAllocatorTestCopyable/1.VectorsWithDefaultHostAllocatorAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/1.TransfersWithoutPinningWork 11: [ OK ] HostAllocatorTestCopyable/1.TransfersWithoutPinningWork (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/1.FillInputAlsoWorksAfterCallingReserve 11: [ OK ] HostAllocatorTestCopyable/1.FillInputAlsoWorksAfterCallingReserve (0 ms) 11: [----------] 3 tests from HostAllocatorTestCopyable/1 (0 ms total) 11: 11: [----------] 3 tests from HostAllocatorTestCopyable/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTestCopyable/2.VectorsWithDefaultHostAllocatorAlwaysWorks 11: [ OK ] HostAllocatorTestCopyable/2.VectorsWithDefaultHostAllocatorAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/2.TransfersWithoutPinningWork 11: [ OK ] HostAllocatorTestCopyable/2.TransfersWithoutPinningWork (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/2.FillInputAlsoWorksAfterCallingReserve 11: [ OK ] HostAllocatorTestCopyable/2.FillInputAlsoWorksAfterCallingReserve (0 ms) 11: [----------] 3 tests from HostAllocatorTestCopyable/2 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/0, where TypeParam = int 11: [ RUN ] HostAllocatorTestNoMem/0.CreateVector 11: [ OK ] HostAllocatorTestNoMem/0.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/0.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/0.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.Swap 11: [ OK ] HostAllocatorTestNoMem/0.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.Comparison 11: [ OK ] HostAllocatorTestNoMem/0.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/0 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/1, where TypeParam = float 11: [ RUN ] HostAllocatorTestNoMem/1.CreateVector 11: [ OK ] HostAllocatorTestNoMem/1.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/1.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/1.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.Swap 11: [ OK ] HostAllocatorTestNoMem/1.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.Comparison 11: [ OK ] HostAllocatorTestNoMem/1.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/1 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTestNoMem/2.CreateVector 11: [ OK ] HostAllocatorTestNoMem/2.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/2.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/2.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.Swap 11: [ OK ] HostAllocatorTestNoMem/2.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.Comparison 11: [ OK ] HostAllocatorTestNoMem/2.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/2 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/3, where TypeParam = gmx::test::MoveOnly 11: [ RUN ] HostAllocatorTestNoMem/3.CreateVector 11: [ OK ] HostAllocatorTestNoMem/3.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/3.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/3.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.Swap 11: [ OK ] HostAllocatorTestNoMem/3.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.Comparison 11: [ OK ] HostAllocatorTestNoMem/3.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/3 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/0, where TypeParam = int 11: [ RUN ] HostAllocatorTestNoMemCopyable/0.CopyAssignment 11: [ OK ] HostAllocatorTestNoMemCopyable/0.CopyAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMemCopyable/0.CopyConstruction 11: [ OK ] HostAllocatorTestNoMemCopyable/0.CopyConstruction (0 ms) 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/0 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/1, where TypeParam = float 11: [ RUN ] HostAllocatorTestNoMemCopyable/1.CopyAssignment 11: [ OK ] HostAllocatorTestNoMemCopyable/1.CopyAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMemCopyable/1.CopyConstruction 11: [ OK ] HostAllocatorTestNoMemCopyable/1.CopyConstruction (0 ms) 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/1 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTestNoMemCopyable/2.CopyAssignment 11: [ OK ] HostAllocatorTestNoMemCopyable/2.CopyAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMemCopyable/2.CopyConstruction 11: [ OK ] HostAllocatorTestNoMemCopyable/2.CopyConstruction (0 ms) 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/2 (0 ms total) 11: 11: [----------] 1 test from HostAllocatorUntypedTest 11: [ RUN ] HostAllocatorUntypedTest.Comparison 11: [ OK ] HostAllocatorUntypedTest.Comparison (0 ms) 11: [----------] 1 test from HostAllocatorUntypedTest (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/0, where TypeParam = gmx::Allocator 11: [ RUN ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment (1 ms) 11: [ RUN ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/0.Move 11: [ OK ] AllocatorTest/0.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/0 (1 ms total) 11: 11: [----------] 4 tests from AllocatorTest/1, where TypeParam = gmx::Allocator 11: [ RUN ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/1.Move 11: [ OK ] AllocatorTest/1.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/1 (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/2, where TypeParam = gmx::Allocator, gmx::HostAllocationPolicy> 11: [ RUN ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/2.Move 11: [ OK ] AllocatorTest/2.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/2 (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/3, where TypeParam = gmx::Allocator 11: [ RUN ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/3.Move 11: [ OK ] AllocatorTest/3.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/3 (0 ms total) 11: 11: [----------] Global test environment tear-down 11: [==========] 62 tests from 20 test cases ran. (1 ms total) 11: [ PASSED ] 62 tests. 11/30 Test #11: GpuUtilsUnitTests ................ Passed 0.03 sec test 12 Start 12: HardwareUnitTests 12: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/hardware-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/HardwareUnitTests.xml" 12: Test timeout computed to be: 30 12: [==========] Running 4 tests from 1 test case. 12: [----------] Global test environment set-up. 12: [----------] 4 tests from HardwareTopologyTest 12: [ RUN ] HardwareTopologyTest.Execute 12: [ OK ] HardwareTopologyTest.Execute (103 ms) 12: [ RUN ] HardwareTopologyTest.HwlocExecute 12: [ OK ] HardwareTopologyTest.HwlocExecute (62 ms) 12: [ RUN ] HardwareTopologyTest.ProcessorSelfconsistency 12: [ OK ] HardwareTopologyTest.ProcessorSelfconsistency (59 ms) 12: [ RUN ] HardwareTopologyTest.NumaCacheSelfconsistency 12: [ OK ] HardwareTopologyTest.NumaCacheSelfconsistency (70 ms) 12: [----------] 4 tests from HardwareTopologyTest (294 ms total) 12: 12: [----------] Global test environment tear-down 12: [==========] 4 tests from 1 test case ran. (294 ms total) 12: [ PASSED ] 4 tests. 12/30 Test #12: HardwareUnitTests ................ Passed 0.32 sec test 13 Start 13: MathUnitTests 13: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/math-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/MathUnitTests.xml" 13: Test timeout computed to be: 30 13: [==========] Running 204 tests from 29 test cases. 13: [----------] Global test environment set-up. 13: [----------] 1 test from EmptyArrayRefWithPaddingTest 13: [ RUN ] EmptyArrayRefWithPaddingTest.IsEmpty 13: [ OK ] EmptyArrayRefWithPaddingTest.IsEmpty (0 ms) 13: [----------] 1 test from EmptyArrayRefWithPaddingTest (0 ms total) 13: 13: [----------] 1 test from EmptyConstArrayRefWithPaddingTest 13: [ RUN ] EmptyConstArrayRefWithPaddingTest.IsEmpty 13: [ OK ] EmptyConstArrayRefWithPaddingTest.IsEmpty (0 ms) 13: [----------] 1 test from EmptyConstArrayRefWithPaddingTest (0 ms total) 13: 13: [----------] 2 tests from ArrayRefWithPaddingTest/0, where TypeParam = gmx::ArrayRefWithPadding 13: [ RUN ] ArrayRefWithPaddingTest/0.AssignFromPaddedVectorWorks 13: [ OK ] ArrayRefWithPaddingTest/0.AssignFromPaddedVectorWorks (0 ms) 13: [ RUN ] ArrayRefWithPaddingTest/0.ConstructFromPointersWorks 13: [ OK ] ArrayRefWithPaddingTest/0.ConstructFromPointersWorks (0 ms) 13: [----------] 2 tests from ArrayRefWithPaddingTest/0 (0 ms total) 13: 13: [----------] 2 tests from ArrayRefWithPaddingTest/1, where TypeParam = gmx::ArrayRefWithPadding 13: [ RUN ] ArrayRefWithPaddingTest/1.AssignFromPaddedVectorWorks 13: [ OK ] ArrayRefWithPaddingTest/1.AssignFromPaddedVectorWorks (0 ms) 13: [ RUN ] ArrayRefWithPaddingTest/1.ConstructFromPointersWorks 13: [ OK ] ArrayRefWithPaddingTest/1.ConstructFromPointersWorks (0 ms) 13: [----------] 2 tests from ArrayRefWithPaddingTest/1 (0 ms total) 13: 13: [----------] 2 tests from ArrayRefWithPaddingTest/2, where TypeParam = gmx::ArrayRefWithPadding 13: [ RUN ] ArrayRefWithPaddingTest/2.AssignFromPaddedVectorWorks 13: [ OK ] ArrayRefWithPaddingTest/2.AssignFromPaddedVectorWorks (0 ms) 13: [ RUN ] ArrayRefWithPaddingTest/2.ConstructFromPointersWorks 13: [ OK ] ArrayRefWithPaddingTest/2.ConstructFromPointersWorks (0 ms) 13: [----------] 2 tests from ArrayRefWithPaddingTest/2 (0 ms total) 13: 13: [----------] 8 tests from TranslateAndScaleTest 13: [ RUN ] TranslateAndScaleTest.identityTransformation 13: [ OK ] TranslateAndScaleTest.identityTransformation (0 ms) 13: [ RUN ] TranslateAndScaleTest.translationWithIdentityScaling 13: [ OK ] TranslateAndScaleTest.translationWithIdentityScaling (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingWithZeroTranslation 13: [ OK ] TranslateAndScaleTest.scalingWithZeroTranslation (0 ms) 13: [ RUN ] TranslateAndScaleTest.translationAndScalingNonTrivial 13: [ OK ] TranslateAndScaleTest.translationAndScalingNonTrivial (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingIdentity 13: [ OK ] TranslateAndScaleTest.scalingIdentity (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingNonTrivial 13: [ OK ] TranslateAndScaleTest.scalingNonTrivial (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingInverseNoZero 13: [ OK ] TranslateAndScaleTest.scalingInverseNoZero (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero 13: [ OK ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero (0 ms) 13: [----------] 8 tests from TranslateAndScaleTest (1 ms total) 13: 13: [----------] 12 tests from DensitySimilarityTest 13: [ RUN ] DensitySimilarityTest.InnerProductIsCorrect 13: [ OK ] DensitySimilarityTest.InnerProductIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.InnerProductGradientIsCorrect 13: [ OK ] DensitySimilarityTest.InnerProductGradientIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.GradientThrowsIfDensitiesDontMatch 13: [ OK ] DensitySimilarityTest.GradientThrowsIfDensitiesDontMatch (0 ms) 13: [ RUN ] DensitySimilarityTest.SimilarityThrowsIfDensitiesDontMatch 13: [ OK ] DensitySimilarityTest.SimilarityThrowsIfDensitiesDontMatch (0 ms) 13: [ RUN ] DensitySimilarityTest.CopiedMeasureInnerProductIsCorrect 13: [ OK ] DensitySimilarityTest.CopiedMeasureInnerProductIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.RelativeEntropyOfSameDensityIsZero 13: [ OK ] DensitySimilarityTest.RelativeEntropyOfSameDensityIsZero (0 ms) 13: [ RUN ] DensitySimilarityTest.RelativeEntropyIsCorrect 13: [ OK ] DensitySimilarityTest.RelativeEntropyIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect 13: [ OK ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect (11 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationIsOne 13: [ OK ] DensitySimilarityTest.CrossCorrelationIsOne (35 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated 13: [ OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (40 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated 13: [ OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (30 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect 13: [ OK ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect (1 ms) 13: [----------] 12 tests from DensitySimilarityTest (119 ms total) 13: 13: [----------] 6 tests from StructureSimilarityTest 13: [ RUN ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD 13: [ OK ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD (0 ms) 13: [ RUN ] StructureSimilarityTest.StructureComparedToSelfHasZeroRho 13: [ OK ] StructureSimilarityTest.StructureComparedToSelfHasZeroRho (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRMSD 13: [ OK ] StructureSimilarityTest.YieldsCorrectRMSD (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRho 13: [ OK ] StructureSimilarityTest.YieldsCorrectRho (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRMSDWithIndex 13: [ OK ] StructureSimilarityTest.YieldsCorrectRMSDWithIndex (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRhoWidthIndex 13: [ OK ] StructureSimilarityTest.YieldsCorrectRhoWidthIndex (0 ms) 13: [----------] 6 tests from StructureSimilarityTest (0 ms total) 13: 13: [----------] 8 tests from ExponentialMovingAverage 13: [ RUN ] ExponentialMovingAverage.ThrowsWhenLagTimeIsZero 13: [ OK ] ExponentialMovingAverage.ThrowsWhenLagTimeIsZero (0 ms) 13: [ RUN ] ExponentialMovingAverage.ThrowsWhenLagTimeIsNegative 13: [ OK ] ExponentialMovingAverage.ThrowsWhenLagTimeIsNegative (0 ms) 13: [ RUN ] ExponentialMovingAverage.LagTimeOneYieldsInstantaneousValue 13: [ OK ] ExponentialMovingAverage.LagTimeOneYieldsInstantaneousValue (0 ms) 13: [ RUN ] ExponentialMovingAverage.YieldsCorrectValue 13: [ OK ] ExponentialMovingAverage.YieldsCorrectValue (0 ms) 13: [ RUN ] ExponentialMovingAverage.SetAverageCorrectly 13: [ OK ] ExponentialMovingAverage.SetAverageCorrectly (0 ms) 13: [ RUN ] ExponentialMovingAverage.DeterminesCorrectlyIfIncreasing 13: [ OK ] ExponentialMovingAverage.DeterminesCorrectlyIfIncreasing (0 ms) 13: [ RUN ] ExponentialMovingAverage.InverseLagTimeCorrect 13: [ OK ] ExponentialMovingAverage.InverseLagTimeCorrect (0 ms) 13: [ RUN ] ExponentialMovingAverage.RoundTripAsKeyValueTree 13: [ OK ] ExponentialMovingAverage.RoundTripAsKeyValueTree (0 ms) 13: [----------] 8 tests from ExponentialMovingAverage (1 ms total) 13: 13: [----------] 21 tests from FunctionTest 13: [ RUN ] FunctionTest.StaticLog2 13: [ OK ] FunctionTest.StaticLog2 (0 ms) 13: [ RUN ] FunctionTest.Log2I32Bit 13: [ OK ] FunctionTest.Log2I32Bit (0 ms) 13: [ RUN ] FunctionTest.Log2I64Bit 13: [ OK ] FunctionTest.Log2I64Bit (6 ms) 13: [ RUN ] FunctionTest.GreatestCommonDivisor 13: [ OK ] FunctionTest.GreatestCommonDivisor (0 ms) 13: [ RUN ] FunctionTest.InvsqrtFloat 13: [ OK ] FunctionTest.InvsqrtFloat (1 ms) 13: [ RUN ] FunctionTest.InvsqrtDouble 13: [ OK ] FunctionTest.InvsqrtDouble (4 ms) 13: [ RUN ] FunctionTest.InvsqrtInteger 13: [ OK ] FunctionTest.InvsqrtInteger (4 ms) 13: [ RUN ] FunctionTest.InvcbrtFloat 13: [ OK ] FunctionTest.InvcbrtFloat (1 ms) 13: [ RUN ] FunctionTest.InvcbrtDouble 13: [ OK ] FunctionTest.InvcbrtDouble (3 ms) 13: [ RUN ] FunctionTest.InvcbrtInteger 13: [ OK ] FunctionTest.InvcbrtInteger (4 ms) 13: [ RUN ] FunctionTest.SixthrootFloat 13: [ OK ] FunctionTest.SixthrootFloat (0 ms) 13: [ RUN ] FunctionTest.SixthrootDouble 13: [ OK ] FunctionTest.SixthrootDouble (1 ms) 13: [ RUN ] FunctionTest.SixthrootInteger 13: [ OK ] FunctionTest.SixthrootInteger (3 ms) 13: [ RUN ] FunctionTest.InvsixthrootFloat 13: [ OK ] FunctionTest.InvsixthrootFloat (1 ms) 13: [ RUN ] FunctionTest.InvsixthrootDouble 13: [ OK ] FunctionTest.InvsixthrootDouble (0 ms) 13: [ RUN ] FunctionTest.InvsixthrootInteger 13: [ OK ] FunctionTest.InvsixthrootInteger (3 ms) 13: [ RUN ] FunctionTest.Powers 13: [ OK ] FunctionTest.Powers (0 ms) 13: [ RUN ] FunctionTest.ErfInvFloat 13: [ OK ] FunctionTest.ErfInvFloat (4 ms) 13: [ RUN ] FunctionTest.ErfInvDouble 13: [ OK ] FunctionTest.ErfInvDouble (0 ms) 13: [ RUN ] FunctionTest.ErfAndErfInvAreInversesFloat 13: [ OK ] FunctionTest.ErfAndErfInvAreInversesFloat (1 ms) 13: [ RUN ] FunctionTest.ErfAndErfInvAreInversesDouble 13: [ OK ] FunctionTest.ErfAndErfInvAreInversesDouble (0 ms) 13: [----------] 21 tests from FunctionTest (36 ms total) 13: 13: [----------] 4 tests from GaussianOn1DLattice 13: [ RUN ] GaussianOn1DLattice.sumsCloseToOne 13: [ OK ] GaussianOn1DLattice.sumsCloseToOne (0 ms) 13: [ RUN ] GaussianOn1DLattice.isCorrect 13: [ OK ] GaussianOn1DLattice.isCorrect (0 ms) 13: [ RUN ] GaussianOn1DLattice.complementaryAmplitudesSumToZero 13: [ OK ] GaussianOn1DLattice.complementaryAmplitudesSumToZero (0 ms) 13: [ RUN ] GaussianOn1DLattice.doesNotOverflowForLargeRange 13: [ OK ] GaussianOn1DLattice.doesNotOverflowForLargeRange (0 ms) 13: [----------] 4 tests from GaussianOn1DLattice (0 ms total) 13: 13: [----------] 9 tests from GaussTransformTest 13: [ RUN ] GaussTransformTest.isZeroUponConstruction 13: [ OK ] GaussTransformTest.isZeroUponConstruction (0 ms) 13: [ RUN ] GaussTransformTest.isZeroAddingZeroAmplitudeGauss 13: [ OK ] GaussTransformTest.isZeroAddingZeroAmplitudeGauss (0 ms) 13: [ RUN ] GaussTransformTest.isZeroAfterSettingZero 13: [ OK ] GaussTransformTest.isZeroAfterSettingZero (0 ms) 13: [ RUN ] GaussTransformTest.isZeroWhenOutsideRangeinX 13: [ OK ] GaussTransformTest.isZeroWhenOutsideRangeinX (0 ms) 13: [ RUN ] GaussTransformTest.isZeroWhenOutsideRangeinY 13: [ OK ] GaussTransformTest.isZeroWhenOutsideRangeinY (0 ms) 13: [ RUN ] GaussTransformTest.isZeroWhenOutsideRangeinZ 13: [ OK ] GaussTransformTest.isZeroWhenOutsideRangeinZ (0 ms) 13: [ RUN ] GaussTransformTest.complementaryGaussAddToZero 13: [ OK ] GaussTransformTest.complementaryGaussAddToZero (0 ms) 13: [ RUN ] GaussTransformTest.centerGaussianInCubeHasExpectedValues 13: [ OK ] GaussTransformTest.centerGaussianInCubeHasExpectedValues (0 ms) 13: [ RUN ] GaussTransformTest.view 13: [ OK ] GaussTransformTest.view (0 ms) 13: [----------] 9 tests from GaussTransformTest (0 ms total) 13: 13: [----------] 3 tests from DensityFittingForce 13: [ RUN ] DensityFittingForce.isZeroWhenMatchingDensity 13: [ OK ] DensityFittingForce.isZeroWhenMatchingDensity (0 ms) 13: [ RUN ] DensityFittingForce.isZeroWhenMismatchingSameAllDirections 13: [ OK ] DensityFittingForce.isZeroWhenMismatchingSameAllDirections (0 ms) 13: [ RUN ] DensityFittingForce.pullsTowardsDerivative 13: [ OK ] DensityFittingForce.pullsTowardsDerivative (0 ms) 13: [----------] 3 tests from DensityFittingForce (0 ms total) 13: 13: [----------] 2 tests from InvertMatrixTest 13: [ RUN ] InvertMatrixTest.IdentityIsImpotent 13: [ OK ] InvertMatrixTest.IdentityIsImpotent (0 ms) 13: [ RUN ] InvertMatrixTest.ComputesInverse 13: [ OK ] InvertMatrixTest.ComputesInverse (0 ms) 13: [----------] 2 tests from InvertMatrixTest (0 ms total) 13: 13: [----------] 2 tests from InvertBoxMatrixTest 13: [ RUN ] InvertBoxMatrixTest.IdentityIsImpotent 13: [ OK ] InvertBoxMatrixTest.IdentityIsImpotent (0 ms) 13: [ RUN ] InvertBoxMatrixTest.ComputesInverseInPlace 13: [ OK ] InvertBoxMatrixTest.ComputesInverseInPlace (0 ms) 13: [----------] 2 tests from InvertBoxMatrixTest (0 ms total) 13: 13: [----------] 15 tests from MatrixTest 13: [ RUN ] MatrixTest.canSetFromArray 13: [ OK ] MatrixTest.canSetFromArray (0 ms) 13: [ RUN ] MatrixTest.canSetStaticallyFromList 13: [ OK ] MatrixTest.canSetStaticallyFromList (0 ms) 13: [ RUN ] MatrixTest.canConstructAndFill 13: [ OK ] MatrixTest.canConstructAndFill (0 ms) 13: [ RUN ] MatrixTest.canSetValues 13: [ OK ] MatrixTest.canSetValues (0 ms) 13: [ RUN ] MatrixTest.canCopyAssign 13: [ OK ] MatrixTest.canCopyAssign (0 ms) 13: [ RUN ] MatrixTest.canSwap 13: [ OK ] MatrixTest.canSwap (0 ms) 13: [ RUN ] MatrixTest.staticMultiDimArrayExtent 13: [ OK ] MatrixTest.staticMultiDimArrayExtent (0 ms) 13: [ RUN ] MatrixTest.determinantWorks 13: [ OK ] MatrixTest.determinantWorks (0 ms) 13: [ RUN ] MatrixTest.noninvertableDeterminantIsZero 13: [ OK ] MatrixTest.noninvertableDeterminantIsZero (0 ms) 13: [ RUN ] MatrixTest.determinantOfDiagonalMatrix 13: [ OK ] MatrixTest.determinantOfDiagonalMatrix (0 ms) 13: [ RUN ] MatrixTest.traceWorks 13: [ OK ] MatrixTest.traceWorks (0 ms) 13: [ RUN ] MatrixTest.transposeWorks 13: [ OK ] MatrixTest.transposeWorks (0 ms) 13: [ RUN ] MatrixTest.transposeOfSymmetricMatrix 13: [ OK ] MatrixTest.transposeOfSymmetricMatrix (0 ms) 13: [ RUN ] MatrixTest.canCreateFromLegacyMatrix 13: [ OK ] MatrixTest.canCreateFromLegacyMatrix (0 ms) 13: [ RUN ] MatrixTest.canFillLegacyMatrix 13: [ OK ] MatrixTest.canFillLegacyMatrix (0 ms) 13: [----------] 15 tests from MatrixTest (0 ms total) 13: 13: [----------] 25 tests from MultiDimArrayTest 13: [ RUN ] MultiDimArrayTest.canConstructAndFillStatic 13: [ OK ] MultiDimArrayTest.canConstructAndFillStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canConstructAndFillDynamic 13: [ OK ] MultiDimArrayTest.canConstructAndFillDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSetValuesInStatic 13: [ OK ] MultiDimArrayTest.canSetValuesInStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSetValuesInDynamic 13: [ OK ] MultiDimArrayTest.canSetValuesInDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveConstructStatic 13: [ OK ] MultiDimArrayTest.canMoveConstructStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveConstructDynamic 13: [ OK ] MultiDimArrayTest.canMoveConstructDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveAssignStatic 13: [ OK ] MultiDimArrayTest.canMoveAssignStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveAssignDynamic 13: [ OK ] MultiDimArrayTest.canMoveAssignDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyConstructStatic 13: [ OK ] MultiDimArrayTest.canCopyConstructStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyConstructDynamic 13: [ OK ] MultiDimArrayTest.canCopyConstructDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyAssignStatic 13: [ OK ] MultiDimArrayTest.canCopyAssignStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyAssignDynamic 13: [ OK ] MultiDimArrayTest.canCopyAssignDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSwapStatic 13: [ OK ] MultiDimArrayTest.canSwapStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSwapDynamic 13: [ OK ] MultiDimArrayTest.canSwapDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.staticMultiDimArrayExtent 13: [ OK ] MultiDimArrayTest.staticMultiDimArrayExtent (0 ms) 13: [ RUN ] MultiDimArrayTest.dynamicMultiDimArrayExtent 13: [ OK ] MultiDimArrayTest.dynamicMultiDimArrayExtent (0 ms) 13: [ RUN ] MultiDimArrayTest.dynamicMultiDimArrayResizesToCorrectExtent 13: [ OK ] MultiDimArrayTest.dynamicMultiDimArrayResizesToCorrectExtent (0 ms) 13: [ RUN ] MultiDimArrayTest.dynamicMultiDimArrayResizeAndSetValue 13: [ OK ] MultiDimArrayTest.dynamicMultiDimArrayResizeAndSetValue (0 ms) 13: [ RUN ] MultiDimArrayTest.staticMultiDimArrayFromArray 13: [ OK ] MultiDimArrayTest.staticMultiDimArrayFromArray (0 ms) 13: [ RUN ] MultiDimArrayTest.conversionToView 13: [ OK ] MultiDimArrayTest.conversionToView (0 ms) 13: [ RUN ] MultiDimArrayTest.conversionToConstView 13: [ OK ] MultiDimArrayTest.conversionToConstView (0 ms) 13: [ RUN ] MultiDimArrayTest.viewBegin 13: [ OK ] MultiDimArrayTest.viewBegin (0 ms) 13: [ RUN ] MultiDimArrayTest.viewEnd 13: [ OK ] MultiDimArrayTest.viewEnd (0 ms) 13: [ RUN ] MultiDimArrayTest.constViewConstBegin 13: [ OK ] MultiDimArrayTest.constViewConstBegin (0 ms) 13: [ RUN ] MultiDimArrayTest.constViewConstEnd 13: [ OK ] MultiDimArrayTest.constViewConstEnd (0 ms) 13: [----------] 25 tests from MultiDimArrayTest (1 ms total) 13: 13: [----------] 4 tests from MultiDimArrayToMdSpanTest 13: [ RUN ] MultiDimArrayToMdSpanTest.convertsToMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.convertsToMdSpan (0 ms) 13: [ RUN ] MultiDimArrayToMdSpanTest.constArrayToMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.constArrayToMdSpan (0 ms) 13: [ RUN ] MultiDimArrayToMdSpanTest.nonConstArrayToConstMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.nonConstArrayToConstMdSpan (0 ms) 13: [ RUN ] MultiDimArrayToMdSpanTest.implicitConversionToMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.implicitConversionToMdSpan (0 ms) 13: [----------] 4 tests from MultiDimArrayToMdSpanTest (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/0, where TypeParam = std::allocator 13: [ RUN ] PaddedVectorTest/0.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/0.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/0.CanCopyAssign 13: [ OK ] PaddedVectorTest/0.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/0.CanMoveAssign 13: [ OK ] PaddedVectorTest/0.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/0.CanSwap 13: [ OK ] PaddedVectorTest/0.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/0 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/1, where TypeParam = std::allocator 13: [ RUN ] PaddedVectorTest/1.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/1.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/1.CanCopyAssign 13: [ OK ] PaddedVectorTest/1.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/1.CanMoveAssign 13: [ OK ] PaddedVectorTest/1.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/1.CanSwap 13: [ OK ] PaddedVectorTest/1.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/1 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/2, where TypeParam = std::allocator 13: [ RUN ] PaddedVectorTest/2.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/2.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/2.CanCopyAssign 13: [ OK ] PaddedVectorTest/2.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/2.CanMoveAssign 13: [ OK ] PaddedVectorTest/2.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/2.CanSwap 13: [ OK ] PaddedVectorTest/2.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/2 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/3, where TypeParam = std::allocator > 13: [ RUN ] PaddedVectorTest/3.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/3.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/3.CanCopyAssign 13: [ OK ] PaddedVectorTest/3.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/3.CanMoveAssign 13: [ OK ] PaddedVectorTest/3.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/3.CanSwap 13: [ OK ] PaddedVectorTest/3.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/3 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/4, where TypeParam = std::allocator > 13: [ RUN ] PaddedVectorTest/4.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/4.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/4.CanCopyAssign 13: [ OK ] PaddedVectorTest/4.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/4.CanMoveAssign 13: [ OK ] PaddedVectorTest/4.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/4.CanSwap 13: [ OK ] PaddedVectorTest/4.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/4 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/5, where TypeParam = gmx::Allocator 13: [ RUN ] PaddedVectorTest/5.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/5.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/5.CanCopyAssign 13: [ OK ] PaddedVectorTest/5.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/5.CanMoveAssign 13: [ OK ] PaddedVectorTest/5.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/5.CanSwap 13: [ OK ] PaddedVectorTest/5.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/5 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/6, where TypeParam = gmx::Allocator 13: [ RUN ] PaddedVectorTest/6.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/6.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/6.CanCopyAssign 13: [ OK ] PaddedVectorTest/6.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/6.CanMoveAssign 13: [ OK ] PaddedVectorTest/6.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/6.CanSwap 13: [ OK ] PaddedVectorTest/6.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/6 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/7, where TypeParam = gmx::Allocator 13: [ RUN ] PaddedVectorTest/7.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/7.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/7.CanCopyAssign 13: [ OK ] PaddedVectorTest/7.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/7.CanMoveAssign 13: [ OK ] PaddedVectorTest/7.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/7.CanSwap 13: [ OK ] PaddedVectorTest/7.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/7 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/8, where TypeParam = gmx::Allocator, gmx::AlignedAllocationPolicy> 13: [ RUN ] PaddedVectorTest/8.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/8.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/8.CanCopyAssign 13: [ OK ] PaddedVectorTest/8.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/8.CanMoveAssign 13: [ OK ] PaddedVectorTest/8.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/8.CanSwap 13: [ OK ] PaddedVectorTest/8.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/8 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/9, where TypeParam = gmx::Allocator, gmx::AlignedAllocationPolicy> 13: [ RUN ] PaddedVectorTest/9.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/9.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/9.CanCopyAssign 13: [ OK ] PaddedVectorTest/9.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/9.CanMoveAssign 13: [ OK ] PaddedVectorTest/9.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/9.CanSwap 13: [ OK ] PaddedVectorTest/9.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/9 (0 ms total) 13: 13: [----------] 37 tests from RVecTest 13: [ RUN ] RVecTest.CanBeStoredInVector 13: [ OK ] RVecTest.CanBeStoredInVector (0 ms) 13: [ RUN ] RVecTest.ConvertsImplicitlyFrom_rvec 13: [ OK ] RVecTest.ConvertsImplicitlyFrom_rvec (0 ms) 13: [ RUN ] RVecTest.ConvertsImplicitlyTo_rvec 13: [ OK ] RVecTest.ConvertsImplicitlyTo_rvec (0 ms) 13: [ RUN ] RVecTest.WorksAsMutable_rvec 13: [ OK ] RVecTest.WorksAsMutable_rvec (0 ms) 13: [ RUN ] RVecTest.WorksAs_rvec_Array 13: [ OK ] RVecTest.WorksAs_rvec_Array (0 ms) 13: [ RUN ] RVecTest.CanAddRVecToRvec 13: [ OK ] RVecTest.CanAddRVecToRvec (0 ms) 13: [ RUN ] RVecTest.CanAddAssignRVecToRvec 13: [ OK ] RVecTest.CanAddAssignRVecToRvec (0 ms) 13: [ RUN ] RVecTest.CanSubtractRVecFromRvec 13: [ OK ] RVecTest.CanSubtractRVecFromRvec (0 ms) 13: [ RUN ] RVecTest.CanSubtractAssignRVecFromRvec 13: [ OK ] RVecTest.CanSubtractAssignRVecFromRvec (0 ms) 13: [ RUN ] RVecTest.CanDotProductRVecByRvec 13: [ OK ] RVecTest.CanDotProductRVecByRvec (0 ms) 13: [ RUN ] RVecTest.CanCrossProductRVecByRvec 13: [ OK ] RVecTest.CanCrossProductRVecByRvec (0 ms) 13: [ RUN ] RVecTest.CanDivideRVecInplace 13: [ OK ] RVecTest.CanDivideRVecInplace (0 ms) 13: [ RUN ] RVecTest.CanScaleRVec 13: [ OK ] RVecTest.CanScaleRVec (0 ms) 13: [ RUN ] RVecTest.CanDivideRVec 13: [ OK ] RVecTest.CanDivideRVec (0 ms) 13: [ RUN ] RVecTest.CanDoUnitvFromRVec 13: [ OK ] RVecTest.CanDoUnitvFromRVec (0 ms) 13: [ RUN ] RVecTest.CanSqLengthOfRVec 13: [ OK ] RVecTest.CanSqLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanLengthOfRVec 13: [ OK ] RVecTest.CanLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanCastToRVec 13: [ OK ] RVecTest.CanCastToRVec (0 ms) 13: [ RUN ] RVecTest.CanCastToDVec 13: [ OK ] RVecTest.CanCastToDVec (0 ms) 13: [ RUN ] RVecTest.CanLeftScalarMultiply 13: [ OK ] RVecTest.CanLeftScalarMultiply (0 ms) 13: [ RUN ] RVecTest.CanRightScalarMultiply 13: [ OK ] RVecTest.CanRightScalarMultiply (0 ms) 13: [ RUN ] RVecTest.CanGetUnitvFromRVec 13: [ OK ] RVecTest.CanGetUnitvFromRVec (0 ms) 13: [ RUN ] RVecTest.CanGetSqLengthOfRVec 13: [ OK ] RVecTest.CanGetSqLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanGetLengthOfRVec 13: [ OK ] RVecTest.CanGetLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanDoCrossProductOfRVec 13: [ OK ] RVecTest.CanDoCrossProductOfRVec (0 ms) 13: [ RUN ] RVecTest.CanDoDotProductOfRVec 13: [ OK ] RVecTest.CanDoDotProductOfRVec (0 ms) 13: [ RUN ] RVecTest.CanScaleByVector 13: [ OK ] RVecTest.CanScaleByVector (0 ms) 13: [ RUN ] RVecTest.asIVec 13: [ OK ] RVecTest.asIVec (0 ms) 13: [ RUN ] RVecTest.elementWiseMin 13: [ OK ] RVecTest.elementWiseMin (0 ms) 13: [ RUN ] RVecTest.elementWiseMax 13: [ OK ] RVecTest.elementWiseMax (0 ms) 13: [ RUN ] RVecTest.WorksAs_dvec_Reference 13: [ OK ] RVecTest.WorksAs_dvec_Reference (0 ms) 13: [ RUN ] RVecTest.WorksAs_ivec_Reference 13: [ OK ] RVecTest.WorksAs_ivec_Reference (0 ms) 13: [ RUN ] RVecTest.WorksAs_rvec_Reference 13: [ OK ] RVecTest.WorksAs_rvec_Reference (0 ms) 13: [ RUN ] RVecTest.CopyConstructorWorks 13: [ OK ] RVecTest.CopyConstructorWorks (0 ms) 13: [ RUN ] RVecTest.CopyAssignmentWorks 13: [ OK ] RVecTest.CopyAssignmentWorks (0 ms) 13: [ RUN ] RVecTest.MoveConstructorWorks 13: [ OK ] RVecTest.MoveConstructorWorks (0 ms) 13: [ RUN ] RVecTest.MoveAssignmentWorks 13: [ OK ] RVecTest.MoveAssignmentWorks (0 ms) 13: [----------] 37 tests from RVecTest (0 ms total) 13: 13: [----------] Global test environment tear-down 13: [==========] 204 tests from 29 test cases ran. (158 ms total) 13: [ PASSED ] 204 tests. 13/30 Test #13: MathUnitTests .................... Passed 0.19 sec test 14 Start 14: MdrunUtilityUnitTests 14: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/mdrunutility-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/MdrunUtilityUnitTests.xml" 14: Test timeout computed to be: 30 14: [==========] Running 17 tests from 1 test case. 14: [----------] Global test environment set-up. 14: [----------] 17 tests from ThreadAffinityTest 14: [ RUN ] ThreadAffinityTest.DoesNothingWhenDisabled 14: [ OK ] ThreadAffinityTest.DoesNothingWhenDisabled (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWhenNotSupported 14: [ OK ] ThreadAffinityTest.DoesNothingWhenNotSupported (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithAutoAndTooFewUserSetThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooFewUserSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyUserSetThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyUserSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyAutoSetThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyAutoSetThreads (1 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithUnknownHardware 14: [ OK ] ThreadAffinityTest.DoesNothingWithUnknownHardware (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithTooManyThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithTooManyThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithTooLargeOffset 14: [ OK ] ThreadAffinityTest.DoesNothingWithTooLargeOffset (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithTooLargeStride 14: [ OK ] ThreadAffinityTest.DoesNothingWithTooLargeStride (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsSingleThreadWithAuto 14: [ OK ] ThreadAffinityTest.PinsSingleThreadWithAuto (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsSingleThreadWhenForced 14: [ OK ] ThreadAffinityTest.PinsSingleThreadWhenForced (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced 14: [ OK ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced (0 ms) 14: [ RUN ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread 14: NOTE: Affinity setting failed. 14: [ OK ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread (1 ms) 14: [ RUN ] ThreadAffinityTest.PinsMultipleThreadsWithAuto 14: [ OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced 14: [ OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads 14: [ OK ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing 14: NOTE: Affinity setting for 1/2 threads failed. 14: [ OK ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing (0 ms) 14: [----------] 17 tests from ThreadAffinityTest (2 ms total) 14: 14: [----------] Global test environment tear-down 14: [==========] 17 tests from 1 test case ran. (2 ms total) 14: [ PASSED ] 17 tests. 14/30 Test #14: MdrunUtilityUnitTests ............ Passed 0.05 sec test 15 Start 15: MdrunUtilityMpiUnitTests 15: Test command: /usr/bin/mpiexec.mpich "-np" "4" "-host" "localhost" "/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/mdrunutility-mpi-test" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/MdrunUtilityMpiUnitTests.xml" 15: Test timeout computed to be: 30 15: [==========] Running 13 tests from 2 test cases. 15: [----------] Global test environment set-up. 15: [----------] 6 tests from ThreadAffinityMultiRankTest 15: [ RUN ] ThreadAffinityMultiRankTest.PinsWholeNode 15: [ OK ] ThreadAffinityMultiRankTest.PinsWholeNode (1 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride 15: [ OK ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride (1 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.PinsTwoNodes 15: [ OK ] ThreadAffinityMultiRankTest.PinsTwoNodes (0 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled 15: [ OK ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled (0 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto 15: [ OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto (0 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce 15: [ OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (0 ms) 15: [----------] 6 tests from ThreadAffinityMultiRankTest (3 ms total) 15: 15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly (1 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly (0 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster (0 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly (1 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly (80 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly (0 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly (1 ms) 15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (84 ms total) 15: 15: [----------] Global test environment tear-down 15: [==========] 13 tests from 2 test cases ran. (88 ms total) 15: [ PASSED ] 13 tests. 15/30 Test #15: MdrunUtilityMpiUnitTests ......... Passed 0.20 sec test 16 Start 16: MDSpanTests 16: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/mdspan-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/MDSpanTests.xml" 16: Test timeout computed to be: 30 16: [==========] Running 32 tests from 7 test cases. 16: [----------] Global test environment set-up. 16: [----------] 4 tests from BasicAccessorPolicy 16: [ RUN ] BasicAccessorPolicy.Decay 16: [ OK ] BasicAccessorPolicy.Decay (0 ms) 16: [ RUN ] BasicAccessorPolicy.Access 16: [ OK ] BasicAccessorPolicy.Access (0 ms) 16: [ RUN ] BasicAccessorPolicy.Offset 16: [ OK ] BasicAccessorPolicy.Offset (0 ms) 16: [ RUN ] BasicAccessorPolicy.CopyAccessor 16: [ OK ] BasicAccessorPolicy.CopyAccessor (0 ms) 16: [----------] 4 tests from BasicAccessorPolicy (0 ms total) 16: 16: [----------] 4 tests from ExtentsTest 16: [ RUN ] ExtentsTest.Construction 16: [ OK ] ExtentsTest.Construction (0 ms) 16: [ RUN ] ExtentsTest.PurelyStatic 16: [ OK ] ExtentsTest.PurelyStatic (0 ms) 16: [ RUN ] ExtentsTest.RankNought 16: [ OK ] ExtentsTest.RankNought (0 ms) 16: [ RUN ] ExtentsTest.Assignment 16: [ OK ] ExtentsTest.Assignment (0 ms) 16: [----------] 4 tests from ExtentsTest (0 ms total) 16: 16: [----------] 8 tests from MdSpanExtension 16: [ RUN ] MdSpanExtension.SlicingAllStatic 16: [ OK ] MdSpanExtension.SlicingAllStatic (0 ms) 16: [ RUN ] MdSpanExtension.SlicingDynamic 16: [ OK ] MdSpanExtension.SlicingDynamic (0 ms) 16: [ RUN ] MdSpanExtension.SlicingAllStatic3D 16: [ OK ] MdSpanExtension.SlicingAllStatic3D (0 ms) 16: [ RUN ] MdSpanExtension.SlicingEqualsView3D 16: [ OK ] MdSpanExtension.SlicingEqualsView3D (0 ms) 16: [ RUN ] MdSpanExtension.additionWorks 16: [ OK ] MdSpanExtension.additionWorks (0 ms) 16: [ RUN ] MdSpanExtension.subtractionWorks 16: [ OK ] MdSpanExtension.subtractionWorks (0 ms) 16: [ RUN ] MdSpanExtension.multiplicationWorks 16: [ OK ] MdSpanExtension.multiplicationWorks (0 ms) 16: [ RUN ] MdSpanExtension.divisionWorks 16: [ OK ] MdSpanExtension.divisionWorks (0 ms) 16: [----------] 8 tests from MdSpanExtension (0 ms total) 16: 16: [----------] 3 tests from LayoutTests 16: [ RUN ] LayoutTests.LayoutRightConstruction 16: [ OK ] LayoutTests.LayoutRightConstruction (0 ms) 16: [ RUN ] LayoutTests.LayoutRightProperties 16: [ OK ] LayoutTests.LayoutRightProperties (0 ms) 16: [ RUN ] LayoutTests.LayoutRightOperator 16: [ OK ] LayoutTests.LayoutRightOperator (0 ms) 16: [----------] 3 tests from LayoutTests (1 ms total) 16: 16: [----------] 1 test from MdSpanTest 16: [ RUN ] MdSpanTest.MdSpanWrapsBasicMdSpanCorrectly 16: [ OK ] MdSpanTest.MdSpanWrapsBasicMdSpanCorrectly (0 ms) 16: [----------] 1 test from MdSpanTest (0 ms total) 16: 16: [----------] 6 tests from MdSpanTest/0, where TypeParam = gmx::basic_mdspan, gmx::layout_right, gmx::accessor_basic > 16: [ RUN ] MdSpanTest/0.Rank 16: [ OK ] MdSpanTest/0.Rank (0 ms) 16: [ RUN ] MdSpanTest/0.DynamicRank 16: [ OK ] MdSpanTest/0.DynamicRank (0 ms) 16: [ RUN ] MdSpanTest/0.Extents 16: [ OK ] MdSpanTest/0.Extents (0 ms) 16: [ RUN ] MdSpanTest/0.Strides 16: [ OK ] MdSpanTest/0.Strides (0 ms) 16: [ RUN ] MdSpanTest/0.Properties 16: [ OK ] MdSpanTest/0.Properties (0 ms) 16: [ RUN ] MdSpanTest/0.Operator 16: [ OK ] MdSpanTest/0.Operator (0 ms) 16: [----------] 6 tests from MdSpanTest/0 (0 ms total) 16: 16: [----------] 6 tests from MdSpanTest/1, where TypeParam = gmx::basic_mdspan, gmx::layout_right, gmx::accessor_basic > 16: [ RUN ] MdSpanTest/1.Rank 16: [ OK ] MdSpanTest/1.Rank (0 ms) 16: [ RUN ] MdSpanTest/1.DynamicRank 16: [ OK ] MdSpanTest/1.DynamicRank (0 ms) 16: [ RUN ] MdSpanTest/1.Extents 16: [ OK ] MdSpanTest/1.Extents (0 ms) 16: [ RUN ] MdSpanTest/1.Strides 16: [ OK ] MdSpanTest/1.Strides (0 ms) 16: [ RUN ] MdSpanTest/1.Properties 16: [ OK ] MdSpanTest/1.Properties (0 ms) 16: [ RUN ] MdSpanTest/1.Operator 16: [ OK ] MdSpanTest/1.Operator (0 ms) 16: [----------] 6 tests from MdSpanTest/1 (0 ms total) 16: 16: [----------] Global test environment tear-down 16: [==========] 32 tests from 7 test cases ran. (1 ms total) 16: [ PASSED ] 32 tests. 16/30 Test #16: MDSpanTests ...................... Passed 0.02 sec test 17 Start 17: OnlineHelpUnitTests 17: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/onlinehelp-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/OnlineHelpUnitTests.xml" 17: Test timeout computed to be: 30 17: [==========] Running 22 tests from 4 test cases. 17: [----------] Global test environment set-up. 17: [----------] 6 tests from TextTableFormatterTest 17: [ RUN ] TextTableFormatterTest.HandlesBasicCase 17: [ OK ] TextTableFormatterTest.HandlesBasicCase (8 ms) 17: [ RUN ] TextTableFormatterTest.HandlesEmptyColumnTitles 17: [ OK ] TextTableFormatterTest.HandlesEmptyColumnTitles (6 ms) 17: [ RUN ] TextTableFormatterTest.HandlesIndentation 17: [ OK ] TextTableFormatterTest.HandlesIndentation (4 ms) 17: [ RUN ] TextTableFormatterTest.HandlesOverflowingLines 17: [ OK ] TextTableFormatterTest.HandlesOverflowingLines (2 ms) 17: [ RUN ] TextTableFormatterTest.HandlesLastColumnFolding 17: [ OK ] TextTableFormatterTest.HandlesLastColumnFolding (2 ms) 17: [ RUN ] TextTableFormatterTest.HandlesEmptyColumns 17: [ OK ] TextTableFormatterTest.HandlesEmptyColumns (4 ms) 17: [----------] 6 tests from TextTableFormatterTest (26 ms total) 17: 17: [----------] 3 tests from HelpManagerTest 17: [ RUN ] HelpManagerTest.HandlesRootTopic 17: [ OK ] HelpManagerTest.HandlesRootTopic (0 ms) 17: [ RUN ] HelpManagerTest.HandlesSubTopics 17: [ OK ] HelpManagerTest.HandlesSubTopics (0 ms) 17: [ RUN ] HelpManagerTest.HandlesInvalidTopics 17: [ OK ] HelpManagerTest.HandlesInvalidTopics (1 ms) 17: [----------] 3 tests from HelpManagerTest (1 ms total) 17: 17: [----------] 2 tests from HelpTopicFormattingTest 17: [ RUN ] HelpTopicFormattingTest.FormatsSimpleTopic 17: [ OK ] HelpTopicFormattingTest.FormatsSimpleTopic (0 ms) 17: [ RUN ] HelpTopicFormattingTest.FormatsCompositeTopicWithSubTopics 17: [ OK ] HelpTopicFormattingTest.FormatsCompositeTopicWithSubTopics (2 ms) 17: [----------] 2 tests from HelpTopicFormattingTest (2 ms total) 17: 17: [----------] 11 tests from HelpWriterContextTest 17: [ RUN ] HelpWriterContextTest.FormatsParagraphs 17: [ OK ] HelpWriterContextTest.FormatsParagraphs (3 ms) 17: [ RUN ] HelpWriterContextTest.FormatsRstStyleParagraphs 17: [ OK ] HelpWriterContextTest.FormatsRstStyleParagraphs (2 ms) 17: [ RUN ] HelpWriterContextTest.CleansUpExtraWhitespace 17: [ OK ] HelpWriterContextTest.CleansUpExtraWhitespace (13 ms) 17: [ RUN ] HelpWriterContextTest.FormatsLiteralText 17: [ OK ] HelpWriterContextTest.FormatsLiteralText (1 ms) 17: [ RUN ] HelpWriterContextTest.FormatsLiteralTextAtBeginning 17: [ OK ] HelpWriterContextTest.FormatsLiteralTextAtBeginning (1 ms) 17: [ RUN ] HelpWriterContextTest.FormatsLiteralTextWithIndentation 17: [ OK ] HelpWriterContextTest.FormatsLiteralTextWithIndentation (2 ms) 17: [ RUN ] HelpWriterContextTest.FormatsBulletList 17: [ OK ] HelpWriterContextTest.FormatsBulletList (2 ms) 17: [ RUN ] HelpWriterContextTest.FormatsEnumeratedList 17: [ OK ] HelpWriterContextTest.FormatsEnumeratedList (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsSimpleTable 17: [ OK ] HelpWriterContextTest.FormatsSimpleTable (1 ms) 17: [ RUN ] HelpWriterContextTest.FormatsGridTable 17: [ OK ] HelpWriterContextTest.FormatsGridTable (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsTitles 17: [ OK ] HelpWriterContextTest.FormatsTitles (1 ms) 17: [----------] 11 tests from HelpWriterContextTest (26 ms total) 17: 17: [----------] Global test environment tear-down 17: [==========] 22 tests from 4 test cases ran. (55 ms total) 17: [ PASSED ] 22 tests. 17/30 Test #17: OnlineHelpUnitTests .............. Passed 0.08 sec test 18 Start 18: OptionsUnitTests 18: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/options-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/OptionsUnitTests.xml" 18: Test timeout computed to be: 30 18: [==========] Running 110 tests from 18 test cases. 18: [----------] Global test environment set-up. 18: [----------] 5 tests from AbstractOptionStorageTest 18: [ RUN ] AbstractOptionStorageTest.HandlesSetInFinish 18: [ OK ] AbstractOptionStorageTest.HandlesSetInFinish (0 ms) 18: [ RUN ] AbstractOptionStorageTest.HandlesValueRemoval 18: [ OK ] AbstractOptionStorageTest.HandlesValueRemoval (0 ms) 18: [ RUN ] AbstractOptionStorageTest.HandlesValueAddition 18: [ OK ] AbstractOptionStorageTest.HandlesValueAddition (0 ms) 18: [ RUN ] AbstractOptionStorageTest.HandlesTooManyValueAddition 18: [ OK ] AbstractOptionStorageTest.HandlesTooManyValueAddition (0 ms) 18: [ RUN ] AbstractOptionStorageTest.AllowsEmptyValues 18: [ OK ] AbstractOptionStorageTest.AllowsEmptyValues (1 ms) 18: [----------] 5 tests from AbstractOptionStorageTest (1 ms total) 18: 18: [----------] 8 tests from FileNameOptionTest 18: [ RUN ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension 18: [ OK ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesRequiredOptionWithoutValue 18: [ OK ] FileNameOptionTest.HandlesRequiredOptionWithoutValue (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesOptionalUnsetOption 18: [ OK ] FileNameOptionTest.HandlesOptionalUnsetOption (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesOptionalDefaultValueWithoutExtension 18: [ OK ] FileNameOptionTest.HandlesOptionalDefaultValueWithoutExtension (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesRequiredCustomDefaultExtension 18: [ OK ] FileNameOptionTest.HandlesRequiredCustomDefaultExtension (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesOptionalCustomDefaultExtension 18: [ OK ] FileNameOptionTest.HandlesOptionalCustomDefaultExtension (0 ms) 18: [ RUN ] FileNameOptionTest.GivesErrorOnUnknownFileSuffix 18: [ OK ] FileNameOptionTest.GivesErrorOnUnknownFileSuffix (0 ms) 18: [ RUN ] FileNameOptionTest.GivesErrorOnInvalidFileSuffix 18: [ OK ] FileNameOptionTest.GivesErrorOnInvalidFileSuffix (0 ms) 18: [----------] 8 tests from FileNameOptionTest (0 ms total) 18: 18: [----------] 15 tests from FileNameOptionManagerTest 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtension 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtension (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingCustomDefaultExtension 18: [ OK ] FileNameOptionManagerTest.AddsMissingCustomDefaultExtension (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingGenericInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingGenericInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingRequiredInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingRequiredInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AcceptsMissingInputFileIfSpecified 18: [ OK ] FileNameOptionManagerTest.AcceptsMissingInputFileIfSpecified (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AcceptsMissingDefaultInputFileIfSpecified 18: [ OK ] FileNameOptionManagerTest.AcceptsMissingDefaultInputFileIfSpecified (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AcceptsMissingRequiredInputFileIfSpecified 18: [ OK ] FileNameOptionManagerTest.AcceptsMissingRequiredInputFileIfSpecified (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredDefaultNameBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredDefaultNameBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalDefaultNameBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalDefaultNameBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredFromDefaultNameOptionBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredFromDefaultNameOptionBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalFromDefaultNameOptionBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalFromDefaultNameOptionBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.DefaultNameOptionWorksWithoutInputChecking 18: [ OK ] FileNameOptionManagerTest.DefaultNameOptionWorksWithoutInputChecking (0 ms) 18: [----------] 15 tests from FileNameOptionManagerTest (1 ms total) 18: 18: [----------] 1 test from OptionsTest 18: [ RUN ] OptionsTest.FailsOnNonsafeStorage 18: [ OK ] OptionsTest.FailsOnNonsafeStorage (0 ms) 18: [----------] 1 test from OptionsTest (0 ms total) 18: 18: [----------] 9 tests from OptionsAssignerTest 18: [ RUN ] OptionsAssignerTest.HandlesMissingRequiredParameter 18: [ OK ] OptionsAssignerTest.HandlesMissingRequiredParameter (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesRequiredParameterWithDefaultValue 18: [ OK ] OptionsAssignerTest.HandlesRequiredParameterWithDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesInvalidMultipleParameter 18: [ OK ] OptionsAssignerTest.HandlesInvalidMultipleParameter (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesMultipleParameter 18: [ OK ] OptionsAssignerTest.HandlesMultipleParameter (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesMissingValue 18: [ OK ] OptionsAssignerTest.HandlesMissingValue (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesExtraValue 18: [ OK ] OptionsAssignerTest.HandlesExtraValue (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesGroups 18: [ OK ] OptionsAssignerTest.HandlesGroups (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesSections 18: [ OK ] OptionsAssignerTest.HandlesSections (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesMultipleSources 18: [ OK ] OptionsAssignerTest.HandlesMultipleSources (0 ms) 18: [----------] 9 tests from OptionsAssignerTest (0 ms total) 18: 18: [----------] 4 tests from OptionsAssignerBooleanTest 18: [ RUN ] OptionsAssignerBooleanTest.StoresYesValue 18: [ OK ] OptionsAssignerBooleanTest.StoresYesValue (0 ms) 18: [ RUN ] OptionsAssignerBooleanTest.SetsBooleanWithoutExplicitValue 18: [ OK ] OptionsAssignerBooleanTest.SetsBooleanWithoutExplicitValue (0 ms) 18: [ RUN ] OptionsAssignerBooleanTest.ClearsBooleanWithPrefixNo 18: [ OK ] OptionsAssignerBooleanTest.ClearsBooleanWithPrefixNo (0 ms) 18: [ RUN ] OptionsAssignerBooleanTest.HandlesBooleanWithPrefixAndValue 18: [ OK ] OptionsAssignerBooleanTest.HandlesBooleanWithPrefixAndValue (0 ms) 18: [----------] 4 tests from OptionsAssignerBooleanTest (0 ms total) 18: 18: [----------] 13 tests from OptionsAssignerIntegerTest 18: [ RUN ] OptionsAssignerIntegerTest.StoresSingleValue 18: [ OK ] OptionsAssignerIntegerTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesEmptyValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesEmptyValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesInvalidValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesInvalidValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesOverflow 18: [ OK ] OptionsAssignerIntegerTest.HandlesOverflow (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.StoresDefaultValue 18: [ OK ] OptionsAssignerIntegerTest.StoresDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.StoresDefaultValueIfSet 18: [ OK ] OptionsAssignerIntegerTest.StoresDefaultValueIfSet (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesDefaultValueIfSetWhenNotSet 18: [ OK ] OptionsAssignerIntegerTest.HandlesDefaultValueIfSetWhenNotSet (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesBothDefaultValues 18: [ OK ] OptionsAssignerIntegerTest.HandlesBothDefaultValues (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.StoresToVector 18: [ OK ] OptionsAssignerIntegerTest.StoresToVector (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectors 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectors (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectorFromSingleValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectorFromSingleValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment (0 ms) 18: [----------] 13 tests from OptionsAssignerIntegerTest (1 ms total) 18: 18: [----------] 5 tests from OptionsAssignerDoubleTest 18: [ RUN ] OptionsAssignerDoubleTest.StoresSingleValue 18: [ OK ] OptionsAssignerDoubleTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.StoresValueFromFloat 18: [ OK ] OptionsAssignerDoubleTest.StoresValueFromFloat (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.HandlesEmptyValue 18: [ OK ] OptionsAssignerDoubleTest.HandlesEmptyValue (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.HandlesPreSetScaleValue 18: [ OK ] OptionsAssignerDoubleTest.HandlesPreSetScaleValue (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.HandlesPostSetScaleValue 18: [ OK ] OptionsAssignerDoubleTest.HandlesPostSetScaleValue (0 ms) 18: [----------] 5 tests from OptionsAssignerDoubleTest (0 ms total) 18: 18: [----------] 9 tests from OptionsAssignerStringTest 18: [ RUN ] OptionsAssignerStringTest.StoresSingleValue 18: [ OK ] OptionsAssignerStringTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumValue 18: [ OK ] OptionsAssignerStringTest.HandlesEnumValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumValueFromNullTerminatedArray 18: [ OK ] OptionsAssignerStringTest.HandlesEnumValueFromNullTerminatedArray (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesIncorrectEnumValue 18: [ OK ] OptionsAssignerStringTest.HandlesIncorrectEnumValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.CompletesEnumValue 18: [ OK ] OptionsAssignerStringTest.CompletesEnumValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumWithNoValue 18: [ OK ] OptionsAssignerStringTest.HandlesEnumWithNoValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumDefaultValue 18: [ OK ] OptionsAssignerStringTest.HandlesEnumDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVariable 18: [ OK ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVariable (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVector 18: [ OK ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVector (0 ms) 18: [----------] 9 tests from OptionsAssignerStringTest (0 ms total) 18: 18: [----------] 6 tests from OptionsAssignerEnumTest 18: [ RUN ] OptionsAssignerEnumTest.StoresSingleValue 18: [ OK ] OptionsAssignerEnumTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.StoresVectorValues 18: [ OK ] OptionsAssignerEnumTest.StoresVectorValues (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesInitialValueOutOfRange 18: [ OK ] OptionsAssignerEnumTest.HandlesInitialValueOutOfRange (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesEnumDefaultValue 18: [ OK ] OptionsAssignerEnumTest.HandlesEnumDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVariable 18: [ OK ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVariable (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVector 18: [ OK ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVector (0 ms) 18: [----------] 6 tests from OptionsAssignerEnumTest (0 ms total) 18: 18: [----------] 8 tests from RepeatingOptionSectionTest 18: [ RUN ] RepeatingOptionSectionTest.HandlesNoInstance 18: [ OK ] RepeatingOptionSectionTest.HandlesNoInstance (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesNoInstanceWithRequiredOption 18: [ OK ] RepeatingOptionSectionTest.HandlesNoInstanceWithRequiredOption (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesSingleInstance 18: [ OK ] RepeatingOptionSectionTest.HandlesSingleInstance (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesDefaultValue 18: [ OK ] RepeatingOptionSectionTest.HandlesDefaultValue (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesTwoInstances 18: [ OK ] RepeatingOptionSectionTest.HandlesTwoInstances (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesUnsetOptionWithImplicitDefault 18: [ OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithImplicitDefault (1 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesUnsetOptionWithExplicitDefault 18: [ OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithExplicitDefault (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesNestedSections 18: [ OK ] RepeatingOptionSectionTest.HandlesNestedSections (0 ms) 18: [----------] 8 tests from RepeatingOptionSectionTest (1 ms total) 18: 18: [----------] 1 test from TimeUnitManagerTest 18: [ RUN ] TimeUnitManagerTest.BasicOperations 18: [ OK ] TimeUnitManagerTest.BasicOperations (0 ms) 18: [----------] 1 test from TimeUnitManagerTest (0 ms total) 18: 18: [----------] 4 tests from TimeUnitBehaviorTest 18: [ RUN ] TimeUnitBehaviorTest.ScalesAssignedOptionValue 18: [ OK ] TimeUnitBehaviorTest.ScalesAssignedOptionValue (0 ms) 18: [ RUN ] TimeUnitBehaviorTest.DoesNotScaleDefaultValues 18: [ OK ] TimeUnitBehaviorTest.DoesNotScaleDefaultValues (0 ms) 18: [ RUN ] TimeUnitBehaviorTest.ScalesUserInputWithMultipleSources 18: [ OK ] TimeUnitBehaviorTest.ScalesUserInputWithMultipleSources (0 ms) 18: [ RUN ] TimeUnitBehaviorTest.TimeUnitOptionWorks 18: [ OK ] TimeUnitBehaviorTest.TimeUnitOptionWorks (0 ms) 18: [----------] 4 tests from TimeUnitBehaviorTest (0 ms total) 18: 18: [----------] 2 tests from TreeValueSupportAssignTest 18: [ RUN ] TreeValueSupportAssignTest.AssignsFromTree 18: [ OK ] TreeValueSupportAssignTest.AssignsFromTree (0 ms) 18: [ RUN ] TreeValueSupportAssignTest.AssignsFromTreeWithArrays 18: [ OK ] TreeValueSupportAssignTest.AssignsFromTreeWithArrays (0 ms) 18: [----------] 2 tests from TreeValueSupportAssignTest (0 ms total) 18: 18: [----------] 1 test from TreeValueSupportAssignErrorTest 18: [ RUN ] TreeValueSupportAssignErrorTest.HandlesInvalidValue 18: [ OK ] TreeValueSupportAssignErrorTest.HandlesInvalidValue (0 ms) 18: [----------] 1 test from TreeValueSupportAssignErrorTest (0 ms total) 18: 18: [----------] 5 tests from TreeValueSupportCheckTest 18: [ RUN ] TreeValueSupportCheckTest.HandlesEmpty 18: [ OK ] TreeValueSupportCheckTest.HandlesEmpty (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.HandlesMatchingTree 18: [ OK ] TreeValueSupportCheckTest.HandlesMatchingTree (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.HandlesSmallerTree1 18: [ OK ] TreeValueSupportCheckTest.HandlesSmallerTree1 (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.HandlesSmallerTree2 18: [ OK ] TreeValueSupportCheckTest.HandlesSmallerTree2 (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.DetectsExtraValue 18: [ OK ] TreeValueSupportCheckTest.DetectsExtraValue (0 ms) 18: [----------] 5 tests from TreeValueSupportCheckTest (0 ms total) 18: 18: [----------] 6 tests from TreeValueSupportAdjustTest 18: [ RUN ] TreeValueSupportAdjustTest.FillsDefaultValues 18: [ OK ] TreeValueSupportAdjustTest.FillsDefaultValues (15 ms) 18: [ RUN ] TreeValueSupportAdjustTest.FillsDefaultVectorValues 18: [ OK ] TreeValueSupportAdjustTest.FillsDefaultVectorValues (4 ms) 18: [ RUN ] TreeValueSupportAdjustTest.FillsDefaultObjectValues 18: [ OK ] TreeValueSupportAdjustTest.FillsDefaultObjectValues (3 ms) 18: [ RUN ] TreeValueSupportAdjustTest.NormalizesValues 18: [ OK ] TreeValueSupportAdjustTest.NormalizesValues (3 ms) 18: [ RUN ] TreeValueSupportAdjustTest.MergesDefaultValues 18: [ OK ] TreeValueSupportAdjustTest.MergesDefaultValues (9 ms) 18: [ RUN ] TreeValueSupportAdjustTest.OrdersValues 18: [ OK ] TreeValueSupportAdjustTest.OrdersValues (0 ms) 18: [----------] 6 tests from TreeValueSupportAdjustTest (34 ms total) 18: 18: [----------] 8 tests from TreeValueSupportTest 18: [ RUN ] TreeValueSupportTest.SupportsBooleanOption 18: [ OK ] TreeValueSupportTest.SupportsBooleanOption (4 ms) 18: [ RUN ] TreeValueSupportTest.SupportsIntegerOption 18: [ OK ] TreeValueSupportTest.SupportsIntegerOption (0 ms) 18: [ RUN ] TreeValueSupportTest.SupportsInt64Option 18: [ OK ] TreeValueSupportTest.SupportsInt64Option (1 ms) 18: [ RUN ] TreeValueSupportTest.SupportsStringOption 18: [ OK ] TreeValueSupportTest.SupportsStringOption (0 ms) 18: [ RUN ] TreeValueSupportTest.SupportsFloatOption 18: [ OK ] TreeValueSupportTest.SupportsFloatOption (4 ms) 18: [ RUN ] TreeValueSupportTest.SupportsDoubleOption 18: [ OK ] TreeValueSupportTest.SupportsDoubleOption (4 ms) 18: [ RUN ] TreeValueSupportTest.SupportsEnumIntOption 18: [ OK ] TreeValueSupportTest.SupportsEnumIntOption (1 ms) 18: [ RUN ] TreeValueSupportTest.SupportsEnumOption 18: [ OK ] TreeValueSupportTest.SupportsEnumOption (3 ms) 18: [----------] 8 tests from TreeValueSupportTest (17 ms total) 18: 18: [----------] Global test environment tear-down 18: [==========] 110 tests from 18 test cases ran. (55 ms total) 18: [ PASSED ] 110 tests. 18/30 Test #18: OptionsUnitTests ................. Passed 0.09 sec test 19 Start 19: PbcutilUnitTest 19: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/pbcutil-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/PbcutilUnitTest.xml" 19: Test timeout computed to be: 30 19: [==========] Running 3 tests from 2 test cases. 19: [----------] Global test environment set-up. 19: [----------] 1 test from PbcTest 19: [ RUN ] PbcTest.CalcShiftsWorks 19: [ OK ] PbcTest.CalcShiftsWorks (10 ms) 19: [----------] 1 test from PbcTest (10 ms total) 19: 19: [----------] 2 tests from PbcEnumsTest 19: [ RUN ] PbcEnumsTest.CenteringTypeNamesAreCorrect 19: [ OK ] PbcEnumsTest.CenteringTypeNamesAreCorrect (0 ms) 19: [ RUN ] PbcEnumsTest.UnitCellTypeNamesAreCorrect 19: [ OK ] PbcEnumsTest.UnitCellTypeNamesAreCorrect (0 ms) 19: [----------] 2 tests from PbcEnumsTest (0 ms total) 19: 19: [----------] Global test environment tear-down 19: [==========] 3 tests from 2 test cases ran. (10 ms total) 19: [ PASSED ] 3 tests. 19/30 Test #19: PbcutilUnitTest .................. Passed 0.04 sec test 20 Start 20: RandomUnitTests 20: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/random-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/RandomUnitTests.xml" 20: Test timeout computed to be: 30 20: [==========] Running 44 tests from 10 test cases. 20: [----------] Global test environment set-up. 20: [----------] 4 tests from ExponentialDistributionTest 20: [ RUN ] ExponentialDistributionTest.Output 20: [ OK ] ExponentialDistributionTest.Output (6 ms) 20: [ RUN ] ExponentialDistributionTest.Logical 20: [ OK ] ExponentialDistributionTest.Logical (0 ms) 20: [ RUN ] ExponentialDistributionTest.Reset 20: [ OK ] ExponentialDistributionTest.Reset (0 ms) 20: [ RUN ] ExponentialDistributionTest.AltParam 20: [ OK ] ExponentialDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from ExponentialDistributionTest (6 ms total) 20: 20: [----------] 4 tests from GammaDistributionTest 20: [ RUN ] GammaDistributionTest.Output 20: [ OK ] GammaDistributionTest.Output (4 ms) 20: [ RUN ] GammaDistributionTest.Logical 20: [ OK ] GammaDistributionTest.Logical (0 ms) 20: [ RUN ] GammaDistributionTest.Reset 20: [ OK ] GammaDistributionTest.Reset (0 ms) 20: [ RUN ] GammaDistributionTest.AltParam 20: [ OK ] GammaDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from GammaDistributionTest (4 ms total) 20: 20: [----------] 4 tests from NormalDistributionTest 20: [ RUN ] NormalDistributionTest.Output 20: [ OK ] NormalDistributionTest.Output (1 ms) 20: [ RUN ] NormalDistributionTest.Logical 20: [ OK ] NormalDistributionTest.Logical (0 ms) 20: [ RUN ] NormalDistributionTest.Reset 20: [ OK ] NormalDistributionTest.Reset (0 ms) 20: [ RUN ] NormalDistributionTest.AltParam 20: [ OK ] NormalDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from NormalDistributionTest (1 ms total) 20: 20: [----------] 1 test from SeedTest 20: [ RUN ] SeedTest.makeRandomSeed 20: [ OK ] SeedTest.makeRandomSeed (0 ms) 20: [----------] 1 test from SeedTest (0 ms total) 20: 20: [----------] 6 tests from TabulatedNormalDistributionTest 20: [ RUN ] TabulatedNormalDistributionTest.Output14 20: [ OK ] TabulatedNormalDistributionTest.Output14 (3 ms) 20: [ RUN ] TabulatedNormalDistributionTest.Output16 20: [ OK ] TabulatedNormalDistributionTest.Output16 (3 ms) 20: [ RUN ] TabulatedNormalDistributionTest.OutputDouble14 20: [ OK ] TabulatedNormalDistributionTest.OutputDouble14 (1 ms) 20: [ RUN ] TabulatedNormalDistributionTest.Logical 20: [ OK ] TabulatedNormalDistributionTest.Logical (0 ms) 20: [ RUN ] TabulatedNormalDistributionTest.Reset 20: [ OK ] TabulatedNormalDistributionTest.Reset (0 ms) 20: [ RUN ] TabulatedNormalDistributionTest.AltParam 20: [ OK ] TabulatedNormalDistributionTest.AltParam (0 ms) 20: [----------] 6 tests from TabulatedNormalDistributionTest (8 ms total) 20: 20: [----------] 1 test from TabulatedNormalDistributionTableTest 20: [ RUN ] TabulatedNormalDistributionTableTest.HasValidProperties 20: [ OK ] TabulatedNormalDistributionTableTest.HasValidProperties (2 ms) 20: [----------] 1 test from TabulatedNormalDistributionTableTest (2 ms total) 20: 20: [----------] 6 tests from ThreeFry2x64Test 20: [ RUN ] ThreeFry2x64Test.Logical 20: [ OK ] ThreeFry2x64Test.Logical (0 ms) 20: [ RUN ] ThreeFry2x64Test.InternalCounterSequence 20: [ OK ] ThreeFry2x64Test.InternalCounterSequence (1 ms) 20: [ RUN ] ThreeFry2x64Test.Reseed 20: [ OK ] ThreeFry2x64Test.Reseed (0 ms) 20: [ RUN ] ThreeFry2x64Test.Discard 20: [ OK ] ThreeFry2x64Test.Discard (0 ms) 20: [ RUN ] ThreeFry2x64Test.InvalidCounter 20: [ OK ] ThreeFry2x64Test.InvalidCounter (0 ms) 20: [ RUN ] ThreeFry2x64Test.ExhaustInternalCounter 20: [ OK ] ThreeFry2x64Test.ExhaustInternalCounter (0 ms) 20: [----------] 6 tests from ThreeFry2x64Test (1 ms total) 20: 20: [----------] 4 tests from UniformIntDistributionTest 20: [ RUN ] UniformIntDistributionTest.Output 20: [ OK ] UniformIntDistributionTest.Output (0 ms) 20: [ RUN ] UniformIntDistributionTest.Logical 20: [ OK ] UniformIntDistributionTest.Logical (0 ms) 20: [ RUN ] UniformIntDistributionTest.Reset 20: [ OK ] UniformIntDistributionTest.Reset (0 ms) 20: [ RUN ] UniformIntDistributionTest.AltParam 20: [ OK ] UniformIntDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from UniformIntDistributionTest (0 ms total) 20: 20: [----------] 5 tests from UniformRealDistributionTest 20: [ RUN ] UniformRealDistributionTest.GenerateCanonical 20: [ OK ] UniformRealDistributionTest.GenerateCanonical (3 ms) 20: [ RUN ] UniformRealDistributionTest.Output 20: [ OK ] UniformRealDistributionTest.Output (1 ms) 20: [ RUN ] UniformRealDistributionTest.Logical 20: [ OK ] UniformRealDistributionTest.Logical (0 ms) 20: [ RUN ] UniformRealDistributionTest.Reset 20: [ OK ] UniformRealDistributionTest.Reset (0 ms) 20: [ RUN ] UniformRealDistributionTest.AltParam 20: [ OK ] UniformRealDistributionTest.AltParam (0 ms) 20: [----------] 5 tests from UniformRealDistributionTest (4 ms total) 20: 20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Default/0 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Default/0 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Default/1 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Default/1 (1 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Default/2 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Default/2 (2 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Fast/0 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/0 (1 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Fast/1 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/1 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Fast/2 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/2 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/0 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/0 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/1 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/1 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2 (1 ms) 20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (6 ms total) 20: 20: [----------] Global test environment tear-down 20: [==========] 44 tests from 10 test cases ran. (33 ms total) 20: [ PASSED ] 44 tests. 20/30 Test #20: RandomUnitTests .................. Passed 0.07 sec test 21 Start 21: RestraintTests 21: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/restraintpotential-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/RestraintTests.xml" 21: Test timeout computed to be: 30 21: [==========] Running 1 test from 1 test case. 21: [----------] Global test environment set-up. 21: [----------] 1 test from RestraintManager 21: [ RUN ] RestraintManager.restraintList 21: [ OK ] RestraintManager.restraintList (0 ms) 21: [----------] 1 test from RestraintManager (0 ms total) 21: 21: [----------] Global test environment tear-down 21: [==========] 1 test from 1 test case ran. (0 ms total) 21: [ PASSED ] 1 test. 21/30 Test #21: RestraintTests ................... Passed 0.02 sec test 22 Start 22: TableUnitTests 22: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/table-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/TableUnitTests.xml" 22: Test timeout computed to be: 30 22: [==========] Running 20 tests from 2 test cases. 22: [----------] Global test environment set-up. 22: [----------] 10 tests from SplineTableTest/0, where TypeParam = gmx::QuadraticSplineTable 22: [ RUN ] SplineTableTest/0.HandlesIncorrectInput 22: [ OK ] SplineTableTest/0.HandlesIncorrectInput (1 ms) 22: [ RUN ] SplineTableTest/0.Sinc 22: [ OK ] SplineTableTest/0.Sinc (0 ms) 22: [ RUN ] SplineTableTest/0.LJ12 22: [ OK ] SplineTableTest/0.LJ12 (13 ms) 22: [ RUN ] SplineTableTest/0.PmeCorrection 22: [ OK ] SplineTableTest/0.PmeCorrection (1 ms) 22: [ RUN ] SplineTableTest/0.HandlesIncorrectNumericalInput 22: [ OK ] SplineTableTest/0.HandlesIncorrectNumericalInput (1 ms) 22: [ RUN ] SplineTableTest/0.NumericalInputPmeCorr 22: [ OK ] SplineTableTest/0.NumericalInputPmeCorr (1 ms) 22: [ RUN ] SplineTableTest/0.TwoFunctions 22: [ OK ] SplineTableTest/0.TwoFunctions (42 ms) 22: [ RUN ] SplineTableTest/0.ThreeFunctions 22: [ OK ] SplineTableTest/0.ThreeFunctions (35 ms) 22: [ RUN ] SplineTableTest/0.Simd 22: [ OK ] SplineTableTest/0.Simd (7 ms) 22: [ RUN ] SplineTableTest/0.SimdTwoFunctions 22: [ OK ] SplineTableTest/0.SimdTwoFunctions (51 ms) 22: [----------] 10 tests from SplineTableTest/0 (152 ms total) 22: 22: [----------] 10 tests from SplineTableTest/1, where TypeParam = gmx::CubicSplineTable 22: [ RUN ] SplineTableTest/1.HandlesIncorrectInput 22: [ OK ] SplineTableTest/1.HandlesIncorrectInput (2 ms) 22: [ RUN ] SplineTableTest/1.Sinc 22: [ OK ] SplineTableTest/1.Sinc (0 ms) 22: [ RUN ] SplineTableTest/1.LJ12 22: [ OK ] SplineTableTest/1.LJ12 (2 ms) 22: [ RUN ] SplineTableTest/1.PmeCorrection 22: [ OK ] SplineTableTest/1.PmeCorrection (1 ms) 22: [ RUN ] SplineTableTest/1.HandlesIncorrectNumericalInput 22: [ OK ] SplineTableTest/1.HandlesIncorrectNumericalInput (0 ms) 22: [ RUN ] SplineTableTest/1.NumericalInputPmeCorr 22: [ OK ] SplineTableTest/1.NumericalInputPmeCorr (1 ms) 22: [ RUN ] SplineTableTest/1.TwoFunctions 22: [ OK ] SplineTableTest/1.TwoFunctions (3 ms) 22: [ RUN ] SplineTableTest/1.ThreeFunctions 22: [ OK ] SplineTableTest/1.ThreeFunctions (4 ms) 22: [ RUN ] SplineTableTest/1.Simd 22: [ OK ] SplineTableTest/1.Simd (1 ms) 22: [ RUN ] SplineTableTest/1.SimdTwoFunctions 22: [ OK ] SplineTableTest/1.SimdTwoFunctions (4 ms) 22: [----------] 10 tests from SplineTableTest/1 (18 ms total) 22: 22: [----------] Global test environment tear-down 22: [==========] 20 tests from 2 test cases ran. (170 ms total) 22: [ PASSED ] 20 tests. 22/30 Test #22: TableUnitTests ................... Passed 0.19 sec test 23 Start 23: TaskAssignmentUnitTests 23: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/taskassignment-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/TaskAssignmentUnitTests.xml" 23: Test timeout computed to be: 30 23: [==========] Running 3 tests from 2 test cases. 23: [----------] Global test environment set-up. 23: [----------] 2 tests from UserTaskAssignmentStringHandlingTest 23: [ RUN ] UserTaskAssignmentStringHandlingTest.ParsingAndReconstructionWork 23: [ OK ] UserTaskAssignmentStringHandlingTest.ParsingAndReconstructionWork (0 ms) 23: [ RUN ] UserTaskAssignmentStringHandlingTest.EmptyStringCanBeValid 23: [ OK ] UserTaskAssignmentStringHandlingTest.EmptyStringCanBeValid (0 ms) 23: [----------] 2 tests from UserTaskAssignmentStringHandlingTest (1 ms total) 23: 23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest 23: [ RUN ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow 23: [ OK ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow (0 ms) 23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest (0 ms total) 23: 23: [----------] Global test environment tear-down 23: [==========] 3 tests from 2 test cases ran. (1 ms total) 23: [ PASSED ] 3 tests. 23/30 Test #23: TaskAssignmentUnitTests .......... Passed 0.02 sec test 24 Start 24: TopologyTest 24: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/topology-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/TopologyTest.xml" 24: Test timeout computed to be: 30 24: [==========] Running 11 tests from 3 test cases. 24: [----------] Global test environment set-up. 24: [----------] 3 tests from ExclusionBlockTest 24: [ RUN ] ExclusionBlockTest.ConvertBlockAToExclusionBlocks 24: [ OK ] ExclusionBlockTest.ConvertBlockAToExclusionBlocks (0 ms) 24: [ RUN ] ExclusionBlockTest.ConvertExclusionBlockToBlocka 24: [ OK ] ExclusionBlockTest.ConvertExclusionBlockToBlocka (0 ms) 24: [ RUN ] ExclusionBlockTest.MergeExclusions 24: [ OK ] ExclusionBlockTest.MergeExclusions (0 ms) 24: [----------] 3 tests from ExclusionBlockTest (0 ms total) 24: 24: [----------] 2 tests from MtopTest 24: [ RUN ] MtopTest.RangeBasedLoop 24: [ OK ] MtopTest.RangeBasedLoop (0 ms) 24: [ RUN ] MtopTest.Operators 24: [ OK ] MtopTest.Operators (0 ms) 24: [----------] 2 tests from MtopTest (0 ms total) 24: 24: [----------] 6 tests from SymtabTest 24: [ RUN ] SymtabTest.EmptyOnOpen 24: [ OK ] SymtabTest.EmptyOnOpen (0 ms) 24: [ RUN ] SymtabTest.AddSingleEntry 24: [ OK ] SymtabTest.AddSingleEntry (0 ms) 24: [ RUN ] SymtabTest.AddTwoDistinctEntries 24: [ OK ] SymtabTest.AddTwoDistinctEntries (0 ms) 24: [ RUN ] SymtabTest.TryToAddDuplicates 24: [ OK ] SymtabTest.TryToAddDuplicates (0 ms) 24: [ RUN ] SymtabTest.AddLargeNumberOfEntries 24: [ OK ] SymtabTest.AddLargeNumberOfEntries (5 ms) 24: [ RUN ] SymtabTest.NoDuplicatesInLargeTable 24: [ OK ] SymtabTest.NoDuplicatesInLargeTable (5 ms) 24: [----------] 6 tests from SymtabTest (10 ms total) 24: 24: [----------] Global test environment tear-down 24: [==========] 11 tests from 3 test cases ran. (10 ms total) 24: [ PASSED ] 11 tests. 24/30 Test #24: TopologyTest ..................... Passed 0.03 sec test 25 Start 25: PullTest 25: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/pull-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/PullTest.xml" 25: Test timeout computed to be: 30 25: [==========] Running 5 tests from 1 test case. 25: [----------] Global test environment set-up. 25: [----------] 5 tests from PullTest 25: [ RUN ] PullTest.MaxPullDistanceXyzScrewBox 25: [ OK ] PullTest.MaxPullDistanceXyzScrewBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXyzCubicBox 25: [ OK ] PullTest.MaxPullDistanceXyzCubicBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXyzTricBox 25: [ OK ] PullTest.MaxPullDistanceXyzTricBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXyzLongBox 25: [ OK ] PullTest.MaxPullDistanceXyzLongBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXySkewedBox 25: [ OK ] PullTest.MaxPullDistanceXySkewedBox (0 ms) 25: [----------] 5 tests from PullTest (0 ms total) 25: 25: [----------] Global test environment tear-down 25: [==========] 5 tests from 1 test case ran. (0 ms total) 25: [ PASSED ] 5 tests. 25/30 Test #25: PullTest ......................... Passed 0.03 sec test 26 Start 26: AwhTest 26: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/awh-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/AwhTest.xml" 26: Test timeout computed to be: 30 26: [==========] Running 12 tests from 4 test cases. 26: [----------] Global test environment set-up. 26: [----------] 1 test from BiasTest 26: [ RUN ] BiasTest.DetectsCovering 26: [ OK ] BiasTest.DetectsCovering (0 ms) 26: [----------] 1 test from BiasTest (0 ms total) 26: 26: [----------] 1 test from gridTest 26: [ RUN ] gridTest.neighborhood 26: [ OK ] gridTest.neighborhood (1 ms) 26: [----------] 1 test from gridTest (1 ms total) 26: 26: [----------] 8 tests from WithParameters/BiasTest 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/0 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/0 (8 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/1 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/1 (4 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/2 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/2 (3 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/3 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/3 (5 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/4 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/4 (2 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/5 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/5 (5 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/6 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/6 (3 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/7 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/7 (3 ms) 26: [----------] 8 tests from WithParameters/BiasTest (34 ms total) 26: 26: [----------] 2 tests from WithParameters/BiasStateTest 26: [ RUN ] WithParameters/BiasStateTest.InitializesFromFile/0 26: [ OK ] WithParameters/BiasStateTest.InitializesFromFile/0 (4 ms) 26: [ RUN ] WithParameters/BiasStateTest.InitializesFromFile/1 26: [ OK ] WithParameters/BiasStateTest.InitializesFromFile/1 (2 ms) 26: [----------] 2 tests from WithParameters/BiasStateTest (7 ms total) 26: 26: [----------] Global test environment tear-down 26: [==========] 12 tests from 4 test cases ran. (43 ms total) 26: [ PASSED ] 12 tests. 26/30 Test #26: AwhTest .......................... Passed 0.07 sec test 27 Start 27: SimdUnitTests 27: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/simd-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/SimdUnitTests.xml" 27: Test timeout computed to be: 30 27: [==========] Running 288 tests from 22 test cases. 27: [----------] Global test environment set-up. 27: [----------] 9 tests from SimdBootstrapTest 27: [ RUN ] SimdBootstrapTest.loadStore 27: [ OK ] SimdBootstrapTest.loadStore (0 ms) 27: [ RUN ] SimdBootstrapTest.loadU 27: [ OK ] SimdBootstrapTest.loadU (0 ms) 27: [ RUN ] SimdBootstrapTest.storeU 27: [ OK ] SimdBootstrapTest.storeU (0 ms) 27: [ RUN ] SimdBootstrapTest.loadStoreI 27: [ OK ] SimdBootstrapTest.loadStoreI (0 ms) 27: [ RUN ] SimdBootstrapTest.loadUI 27: [ OK ] SimdBootstrapTest.loadUI (0 ms) 27: [ RUN ] SimdBootstrapTest.storeUI 27: [ OK ] SimdBootstrapTest.storeUI (0 ms) 27: [ RUN ] SimdBootstrapTest.simd4LoadStore 27: [ OK ] SimdBootstrapTest.simd4LoadStore (0 ms) 27: [ RUN ] SimdBootstrapTest.simd4LoadU 27: [ OK ] SimdBootstrapTest.simd4LoadU (0 ms) 27: [ RUN ] SimdBootstrapTest.simd4StoreU 27: [ OK ] SimdBootstrapTest.simd4StoreU (0 ms) 27: [----------] 9 tests from SimdBootstrapTest (1 ms total) 27: 27: [----------] 1 test from SimdTest 27: [ RUN ] SimdTest.GmxAligned 27: [ OK ] SimdTest.GmxAligned (0 ms) 27: [----------] 1 test from SimdTest (0 ms total) 27: 27: [----------] 42 tests from SimdFloatingpointTest 27: [ RUN ] SimdFloatingpointTest.setZero 27: [ OK ] SimdFloatingpointTest.setZero (0 ms) 27: [ RUN ] SimdFloatingpointTest.set 27: [ OK ] SimdFloatingpointTest.set (0 ms) 27: [ RUN ] SimdFloatingpointTest.add 27: [ OK ] SimdFloatingpointTest.add (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskAdd 27: [ OK ] SimdFloatingpointTest.maskAdd (0 ms) 27: [ RUN ] SimdFloatingpointTest.sub 27: [ OK ] SimdFloatingpointTest.sub (0 ms) 27: [ RUN ] SimdFloatingpointTest.mul 27: [ OK ] SimdFloatingpointTest.mul (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzMul 27: [ OK ] SimdFloatingpointTest.maskzMul (0 ms) 27: [ RUN ] SimdFloatingpointTest.fma 27: [ OK ] SimdFloatingpointTest.fma (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzFma 27: [ OK ] SimdFloatingpointTest.maskzFma (0 ms) 27: [ RUN ] SimdFloatingpointTest.fms 27: [ OK ] SimdFloatingpointTest.fms (0 ms) 27: [ RUN ] SimdFloatingpointTest.fnma 27: [ OK ] SimdFloatingpointTest.fnma (0 ms) 27: [ RUN ] SimdFloatingpointTest.fnms 27: [ OK ] SimdFloatingpointTest.fnms (0 ms) 27: [ RUN ] SimdFloatingpointTest.abs 27: [ OK ] SimdFloatingpointTest.abs (0 ms) 27: [ RUN ] SimdFloatingpointTest.neg 27: [ OK ] SimdFloatingpointTest.neg (0 ms) 27: [ RUN ] SimdFloatingpointTest.and 27: [ OK ] SimdFloatingpointTest.and (0 ms) 27: [ RUN ] SimdFloatingpointTest.or 27: [ OK ] SimdFloatingpointTest.or (0 ms) 27: [ RUN ] SimdFloatingpointTest.xor 27: [ OK ] SimdFloatingpointTest.xor (0 ms) 27: [ RUN ] SimdFloatingpointTest.andNot 27: [ OK ] SimdFloatingpointTest.andNot (0 ms) 27: [ RUN ] SimdFloatingpointTest.max 27: [ OK ] SimdFloatingpointTest.max (0 ms) 27: [ RUN ] SimdFloatingpointTest.min 27: [ OK ] SimdFloatingpointTest.min (0 ms) 27: [ RUN ] SimdFloatingpointTest.round 27: [ OK ] SimdFloatingpointTest.round (0 ms) 27: [ RUN ] SimdFloatingpointTest.roundMode 27: [ OK ] SimdFloatingpointTest.roundMode (0 ms) 27: [ RUN ] SimdFloatingpointTest.trunc 27: [ OK ] SimdFloatingpointTest.trunc (0 ms) 27: [ RUN ] SimdFloatingpointTest.frexp 27: [ OK ] SimdFloatingpointTest.frexp (0 ms) 27: [ RUN ] SimdFloatingpointTest.ldexp 27: [ OK ] SimdFloatingpointTest.ldexp (0 ms) 27: [ RUN ] SimdFloatingpointTest.rsqrt 27: [ OK ] SimdFloatingpointTest.rsqrt (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzRsqrt 27: [ OK ] SimdFloatingpointTest.maskzRsqrt (0 ms) 27: [ RUN ] SimdFloatingpointTest.rcp 27: [ OK ] SimdFloatingpointTest.rcp (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzRcp 27: [ OK ] SimdFloatingpointTest.maskzRcp (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpEqAndSelectByMask 27: [ OK ] SimdFloatingpointTest.cmpEqAndSelectByMask (0 ms) 27: [ RUN ] SimdFloatingpointTest.selectByNotMask 27: [ OK ] SimdFloatingpointTest.selectByNotMask (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpNe 27: [ OK ] SimdFloatingpointTest.cmpNe (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpLe 27: [ OK ] SimdFloatingpointTest.cmpLe (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpLt 27: [ OK ] SimdFloatingpointTest.cmpLt (0 ms) 27: [ RUN ] SimdFloatingpointTest.testBits 27: [ OK ] SimdFloatingpointTest.testBits (0 ms) 27: [ RUN ] SimdFloatingpointTest.andB 27: [ OK ] SimdFloatingpointTest.andB (0 ms) 27: [ RUN ] SimdFloatingpointTest.orB 27: [ OK ] SimdFloatingpointTest.orB (0 ms) 27: [ RUN ] SimdFloatingpointTest.anyTrueB 27: [ OK ] SimdFloatingpointTest.anyTrueB (0 ms) 27: [ RUN ] SimdFloatingpointTest.blend 27: [ OK ] SimdFloatingpointTest.blend (0 ms) 27: [ RUN ] SimdFloatingpointTest.reduce 27: [ OK ] SimdFloatingpointTest.reduce (0 ms) 27: [ RUN ] SimdFloatingpointTest.cvtFloat2Double 27: [ OK ] SimdFloatingpointTest.cvtFloat2Double (0 ms) 27: [ RUN ] SimdFloatingpointTest.cvtDouble2Float 27: [ OK ] SimdFloatingpointTest.cvtDouble2Float (0 ms) 27: [----------] 42 tests from SimdFloatingpointTest (0 ms total) 27: 27: [----------] 16 tests from SimdFloatingpointUtilTest 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadTranspose4 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadTranspose4 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadTranspose2 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadTranspose2 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadUTranspose3 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadUTranspose3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterStoreU3 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterStoreU3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterIncrU3 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterIncrU3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterIncrU3Overlapping 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterIncrU3Overlapping (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterDecrU3 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterDecrU3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterDecrU3Overlapping 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterDecrU3Overlapping (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.expandScalarsToTriplets 27: [ OK ] SimdFloatingpointUtilTest.expandScalarsToTriplets (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose4 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose4 (1 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose2 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose2 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadUBySimdIntTranspose2 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadUBySimdIntTranspose2 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.reduceIncr4Sum 27: [ OK ] SimdFloatingpointUtilTest.reduceIncr4Sum (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.loadUNDuplicate4 27: [ OK ] SimdFloatingpointUtilTest.loadUNDuplicate4 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.load4DuplicateN 27: [ OK ] SimdFloatingpointUtilTest.load4DuplicateN (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.loadU4NOffset 27: [ OK ] SimdFloatingpointUtilTest.loadU4NOffset (0 ms) 27: [----------] 16 tests from SimdFloatingpointUtilTest (1 ms total) 27: 27: [----------] 3 tests from SimdVectorOperationsTest 27: [ RUN ] SimdVectorOperationsTest.iprod 27: [ OK ] SimdVectorOperationsTest.iprod (0 ms) 27: [ RUN ] SimdVectorOperationsTest.norm2 27: [ OK ] SimdVectorOperationsTest.norm2 (0 ms) 27: [ RUN ] SimdVectorOperationsTest.cprod 27: [ OK ] SimdVectorOperationsTest.cprod (0 ms) 27: [----------] 3 tests from SimdVectorOperationsTest (0 ms total) 27: 27: [----------] 56 tests from SimdMathTest 27: [ RUN ] SimdMathTest.generateTestPointsFloat 27: [ OK ] SimdMathTest.generateTestPointsFloat (11 ms) 27: [ RUN ] SimdMathTest.copysign 27: [ OK ] SimdMathTest.copysign (0 ms) 27: [ RUN ] SimdMathTest.invsqrt 27: [ OK ] SimdMathTest.invsqrt (1 ms) 27: [ RUN ] SimdMathTest.maskzInvsqrt 27: [ OK ] SimdMathTest.maskzInvsqrt (0 ms) 27: [ RUN ] SimdMathTest.invsqrtPair 27: [ OK ] SimdMathTest.invsqrtPair (1 ms) 27: [ RUN ] SimdMathTest.sqrt 27: [ OK ] SimdMathTest.sqrt (2 ms) 27: [ RUN ] SimdMathTest.sqrtUnsafe 27: [ OK ] SimdMathTest.sqrtUnsafe (0 ms) 27: [ RUN ] SimdMathTest.inv 27: [ OK ] SimdMathTest.inv (5 ms) 27: [ RUN ] SimdMathTest.maskzInv 27: [ OK ] SimdMathTest.maskzInv (0 ms) 27: [ RUN ] SimdMathTest.cbrt 27: [ OK ] SimdMathTest.cbrt (1 ms) 27: [ RUN ] SimdMathTest.invcbrt 27: [ OK ] SimdMathTest.invcbrt (3 ms) 27: [ RUN ] SimdMathTest.log2 27: [ OK ] SimdMathTest.log2 (1 ms) 27: [ RUN ] SimdMathTest.log 27: [ OK ] SimdMathTest.log (1 ms) 27: [ RUN ] SimdMathTest.exp2 27: [ OK ] SimdMathTest.exp2 (3 ms) 27: [ RUN ] SimdMathTest.exp2Unsafe 27: [ OK ] SimdMathTest.exp2Unsafe (1 ms) 27: [ RUN ] SimdMathTest.exp 27: [ OK ] SimdMathTest.exp (2 ms) 27: [ RUN ] SimdMathTest.expUnsafe 27: [ OK ] SimdMathTest.expUnsafe (1 ms) 27: [ RUN ] SimdMathTest.pow 27: [ OK ] SimdMathTest.pow (0 ms) 27: [ RUN ] SimdMathTest.powUnsafe 27: [ OK ] SimdMathTest.powUnsafe (0 ms) 27: [ RUN ] SimdMathTest.erf 27: [ OK ] SimdMathTest.erf (2 ms) 27: [ RUN ] SimdMathTest.erfc 27: [ OK ] SimdMathTest.erfc (2 ms) 27: [ RUN ] SimdMathTest.sin 27: [ OK ] SimdMathTest.sin (2 ms) 27: [ RUN ] SimdMathTest.cos 27: [ OK ] SimdMathTest.cos (2 ms) 27: [ RUN ] SimdMathTest.tan 27: [ OK ] SimdMathTest.tan (2 ms) 27: [ RUN ] SimdMathTest.asin 27: [ OK ] SimdMathTest.asin (1 ms) 27: [ RUN ] SimdMathTest.acos 27: [ OK ] SimdMathTest.acos (1 ms) 27: [ RUN ] SimdMathTest.atan 27: [ OK ] SimdMathTest.atan (1 ms) 27: [ RUN ] SimdMathTest.atan2 27: [ OK ] SimdMathTest.atan2 (0 ms) 27: [ RUN ] SimdMathTest.pmeForceCorrection 27: [ OK ] SimdMathTest.pmeForceCorrection (2 ms) 27: [ RUN ] SimdMathTest.pmePotentialCorrection 27: [ OK ] SimdMathTest.pmePotentialCorrection (2 ms) 27: [ RUN ] SimdMathTest.invsqrtSingleAccuracy 27: [ OK ] SimdMathTest.invsqrtSingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.invsqrtPairSingleAccuracy 27: [ OK ] SimdMathTest.invsqrtPairSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.sqrtSingleAccuracy 27: [ OK ] SimdMathTest.sqrtSingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.sqrtSingleAccuracyUnsafe 27: [ OK ] SimdMathTest.sqrtSingleAccuracyUnsafe (1 ms) 27: [ RUN ] SimdMathTest.invSingleAccuracy 27: [ OK ] SimdMathTest.invSingleAccuracy (4 ms) 27: [ RUN ] SimdMathTest.cbrtSingleAccuracy 27: [ OK ] SimdMathTest.cbrtSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.invcbrtSingleAccuracy 27: [ OK ] SimdMathTest.invcbrtSingleAccuracy (3 ms) 27: [ RUN ] SimdMathTest.log2SingleAccuracy 27: [ OK ] SimdMathTest.log2SingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.logSingleAccuracy 27: [ OK ] SimdMathTest.logSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.exp2SingleAccuracy 27: [ OK ] SimdMathTest.exp2SingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.exp2SingleAccuracyUnsafe 27: [ OK ] SimdMathTest.exp2SingleAccuracyUnsafe (1 ms) 27: [ RUN ] SimdMathTest.expSingleAccuracy 27: [ OK ] SimdMathTest.expSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.expSingleAccuracyUnsafe 27: [ OK ] SimdMathTest.expSingleAccuracyUnsafe (1 ms) 27: [ RUN ] SimdMathTest.powSingleAccuracy 27: [ OK ] SimdMathTest.powSingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.powSingleAccuracyUnsafe 27: [ OK ] SimdMathTest.powSingleAccuracyUnsafe (0 ms) 27: [ RUN ] SimdMathTest.erfSingleAccuracy 27: [ OK ] SimdMathTest.erfSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.erfcSingleAccuracy 27: [ OK ] SimdMathTest.erfcSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.sinSingleAccuracy 27: [ OK ] SimdMathTest.sinSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.cosSingleAccuracy 27: [ OK ] SimdMathTest.cosSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.tanSingleAccuracy 27: [ OK ] SimdMathTest.tanSingleAccuracy (19 ms) 27: [ RUN ] SimdMathTest.asinSingleAccuracy 27: [ OK ] SimdMathTest.asinSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.acosSingleAccuracy 27: [ OK ] SimdMathTest.acosSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.atanSingleAccuracy 27: [ OK ] SimdMathTest.atanSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.atan2SingleAccuracy 27: [ OK ] SimdMathTest.atan2SingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.pmeForceCorrectionSingleAccuracy 27: [ OK ] SimdMathTest.pmeForceCorrectionSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.pmePotentialCorrectionSingleAccuracy 27: [ OK ] SimdMathTest.pmePotentialCorrectionSingleAccuracy (2 ms) 27: [----------] 56 tests from SimdMathTest (105 ms total) 27: 27: [----------] 1 test from EmptyArrayRefTest 27: [ RUN ] EmptyArrayRefTest.IsEmpty 27: [ OK ] EmptyArrayRefTest.IsEmpty (0 ms) 27: [----------] 1 test from EmptyArrayRefTest (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/0, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/0.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/0.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/0.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/0.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/0.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/0.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/0 (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/1, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/1.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/1.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/1.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/1.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/1.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/1.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/1 (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/2, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/2.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/2.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/2.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/2.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/2.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/2.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/2 (1 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/3, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/3.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/3.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/3.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/3.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/3.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/3.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/3 (0 ms total) 27: 27: [----------] 1 test from ArrayRefReadWriteTest/0, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefReadWriteTest/0.Assignment 27: [ OK ] ArrayRefReadWriteTest/0.Assignment (0 ms) 27: [----------] 1 test from ArrayRefReadWriteTest/0 (0 ms total) 27: 27: [----------] 1 test from ArrayRefReadWriteTest/1, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefReadWriteTest/1.Assignment 27: [ OK ] ArrayRefReadWriteTest/1.Assignment (0 ms) 27: [----------] 1 test from ArrayRefReadWriteTest/1 (0 ms total) 27: 27: [----------] 1 test from ArrayRefArithmeticTest/0, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefArithmeticTest/0.Basic 27: [ OK ] ArrayRefArithmeticTest/0.Basic (0 ms) 27: [----------] 1 test from ArrayRefArithmeticTest/0 (0 ms total) 27: 27: [----------] 1 test from ArrayRefArithmeticTest/1, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefArithmeticTest/1.Basic 27: [ OK ] ArrayRefArithmeticTest/1.Basic (0 ms) 27: [----------] 1 test from ArrayRefArithmeticTest/1 (0 ms total) 27: 27: [----------] 23 tests from SimdIntegerTest 27: [ RUN ] SimdIntegerTest.setZero 27: [ OK ] SimdIntegerTest.setZero (0 ms) 27: [ RUN ] SimdIntegerTest.set 27: [ OK ] SimdIntegerTest.set (0 ms) 27: [ RUN ] SimdIntegerTest.add 27: [ OK ] SimdIntegerTest.add (0 ms) 27: [ RUN ] SimdIntegerTest.sub 27: [ OK ] SimdIntegerTest.sub (0 ms) 27: [ RUN ] SimdIntegerTest.mul 27: [ OK ] SimdIntegerTest.mul (0 ms) 27: [ RUN ] SimdIntegerTest.and 27: [ OK ] SimdIntegerTest.and (0 ms) 27: [ RUN ] SimdIntegerTest.andNot 27: [ OK ] SimdIntegerTest.andNot (0 ms) 27: [ RUN ] SimdIntegerTest.or 27: [ OK ] SimdIntegerTest.or (0 ms) 27: [ RUN ] SimdIntegerTest.xor 27: [ OK ] SimdIntegerTest.xor (0 ms) 27: [ RUN ] SimdIntegerTest.extract 27: [ OK ] SimdIntegerTest.extract (0 ms) 27: [ RUN ] SimdIntegerTest.cvtR2I 27: [ OK ] SimdIntegerTest.cvtR2I (0 ms) 27: [ RUN ] SimdIntegerTest.cvttR2I 27: [ OK ] SimdIntegerTest.cvttR2I (0 ms) 27: [ RUN ] SimdIntegerTest.cvtI2R 27: [ OK ] SimdIntegerTest.cvtI2R (0 ms) 27: [ RUN ] SimdIntegerTest.cmpEqAndSelectMask 27: [ OK ] SimdIntegerTest.cmpEqAndSelectMask (0 ms) 27: [ RUN ] SimdIntegerTest.cmpEqAndSelectNotMask 27: [ OK ] SimdIntegerTest.cmpEqAndSelectNotMask (0 ms) 27: [ RUN ] SimdIntegerTest.cmpLt 27: [ OK ] SimdIntegerTest.cmpLt (0 ms) 27: [ RUN ] SimdIntegerTest.testBits 27: [ OK ] SimdIntegerTest.testBits (0 ms) 27: [ RUN ] SimdIntegerTest.andB 27: [ OK ] SimdIntegerTest.andB (0 ms) 27: [ RUN ] SimdIntegerTest.orB 27: [ OK ] SimdIntegerTest.orB (0 ms) 27: [ RUN ] SimdIntegerTest.anyTrue 27: [ OK ] SimdIntegerTest.anyTrue (0 ms) 27: [ RUN ] SimdIntegerTest.blend 27: [ OK ] SimdIntegerTest.blend (0 ms) 27: [ RUN ] SimdIntegerTest.cvtB2IB 27: [ OK ] SimdIntegerTest.cvtB2IB (0 ms) 27: [ RUN ] SimdIntegerTest.cvtIB2B 27: [ OK ] SimdIntegerTest.cvtIB2B (0 ms) 27: [----------] 23 tests from SimdIntegerTest (0 ms total) 27: 27: [----------] 32 tests from Simd4FloatingpointTest 27: [ RUN ] Simd4FloatingpointTest.setZero 27: [ OK ] Simd4FloatingpointTest.setZero (0 ms) 27: [ RUN ] Simd4FloatingpointTest.set 27: [ OK ] Simd4FloatingpointTest.set (0 ms) 27: [ RUN ] Simd4FloatingpointTest.add 27: [ OK ] Simd4FloatingpointTest.add (0 ms) 27: [ RUN ] Simd4FloatingpointTest.sub 27: [ OK ] Simd4FloatingpointTest.sub (0 ms) 27: [ RUN ] Simd4FloatingpointTest.mul 27: [ OK ] Simd4FloatingpointTest.mul (0 ms) 27: [ RUN ] Simd4FloatingpointTest.fma 27: [ OK ] Simd4FloatingpointTest.fma (0 ms) 27: [ RUN ] Simd4FloatingpointTest.fms 27: [ OK ] Simd4FloatingpointTest.fms (0 ms) 27: [ RUN ] Simd4FloatingpointTest.fnma 27: [ OK ] Simd4FloatingpointTest.fnma (0 ms) 27: [ RUN ] Simd4FloatingpointTest.fnms 27: [ OK ] Simd4FloatingpointTest.fnms (0 ms) 27: [ RUN ] Simd4FloatingpointTest.abs 27: [ OK ] Simd4FloatingpointTest.abs (0 ms) 27: [ RUN ] Simd4FloatingpointTest.neg 27: [ OK ] Simd4FloatingpointTest.neg (0 ms) 27: [ RUN ] Simd4FloatingpointTest.and 27: [ OK ] Simd4FloatingpointTest.and (0 ms) 27: [ RUN ] Simd4FloatingpointTest.or 27: [ OK ] Simd4FloatingpointTest.or (0 ms) 27: [ RUN ] Simd4FloatingpointTest.xor 27: [ OK ] Simd4FloatingpointTest.xor (0 ms) 27: [ RUN ] Simd4FloatingpointTest.andNot 27: [ OK ] Simd4FloatingpointTest.andNot (0 ms) 27: [ RUN ] Simd4FloatingpointTest.max 27: [ OK ] Simd4FloatingpointTest.max (0 ms) 27: [ RUN ] Simd4FloatingpointTest.min 27: [ OK ] Simd4FloatingpointTest.min (0 ms) 27: [ RUN ] Simd4FloatingpointTest.round 27: [ OK ] Simd4FloatingpointTest.round (0 ms) 27: [ RUN ] Simd4FloatingpointTest.trunc 27: [ OK ] Simd4FloatingpointTest.trunc (0 ms) 27: [ RUN ] Simd4FloatingpointTest.gmxSimd4RsqrtR 27: [ OK ] Simd4FloatingpointTest.gmxSimd4RsqrtR (0 ms) 27: [ RUN ] Simd4FloatingpointTest.cmpEqAndSelectByMask 27: [ OK ] Simd4FloatingpointTest.cmpEqAndSelectByMask (0 ms) 27: [ RUN ] Simd4FloatingpointTest.selectByNotMask 27: [ OK ] Simd4FloatingpointTest.selectByNotMask (0 ms) 27: [ RUN ] Simd4FloatingpointTest.cmpNe 27: [ OK ] Simd4FloatingpointTest.cmpNe (0 ms) 27: [ RUN ] Simd4FloatingpointTest.cmpLe 27: [ OK ] Simd4FloatingpointTest.cmpLe (0 ms) 27: [ RUN ] Simd4FloatingpointTest.cmpLt 27: [ OK ] Simd4FloatingpointTest.cmpLt (0 ms) 27: [ RUN ] Simd4FloatingpointTest.andB 27: [ OK ] Simd4FloatingpointTest.andB (0 ms) 27: [ RUN ] Simd4FloatingpointTest.orB 27: [ OK ] Simd4FloatingpointTest.orB (0 ms) 27: [ RUN ] Simd4FloatingpointTest.anyTrue 27: [ OK ] Simd4FloatingpointTest.anyTrue (0 ms) 27: [ RUN ] Simd4FloatingpointTest.blend 27: [ OK ] Simd4FloatingpointTest.blend (0 ms) 27: [ RUN ] Simd4FloatingpointTest.reduce 27: [ OK ] Simd4FloatingpointTest.reduce (0 ms) 27: [ RUN ] Simd4FloatingpointTest.dotProduct 27: [ OK ] Simd4FloatingpointTest.dotProduct (0 ms) 27: [ RUN ] Simd4FloatingpointTest.transpose 27: [ OK ] Simd4FloatingpointTest.transpose (0 ms) 27: [----------] 32 tests from Simd4FloatingpointTest (2 ms total) 27: 27: [----------] 1 test from Simd4VectorOperationsTest 27: [ RUN ] Simd4VectorOperationsTest.norm2 27: [ OK ] Simd4VectorOperationsTest.norm2 (0 ms) 27: [----------] 1 test from Simd4VectorOperationsTest (0 ms total) 27: 27: [----------] 2 tests from Simd4MathTest 27: [ RUN ] Simd4MathTest.invsqrt 27: [ OK ] Simd4MathTest.invsqrt (0 ms) 27: [ RUN ] Simd4MathTest.invsqrtSingleAccuracy 27: [ OK ] Simd4MathTest.invsqrtSingleAccuracy (0 ms) 27: [----------] 2 tests from Simd4MathTest (0 ms total) 27: 27: [----------] 41 tests from SimdScalarTest 27: [ RUN ] SimdScalarTest.load 27: [ OK ] SimdScalarTest.load (0 ms) 27: [ RUN ] SimdScalarTest.loadU 27: [ OK ] SimdScalarTest.loadU (0 ms) 27: [ RUN ] SimdScalarTest.store 27: [ OK ] SimdScalarTest.store (0 ms) 27: [ RUN ] SimdScalarTest.storeU 27: [ OK ] SimdScalarTest.storeU (0 ms) 27: [ RUN ] SimdScalarTest.setZero 27: [ OK ] SimdScalarTest.setZero (0 ms) 27: [ RUN ] SimdScalarTest.andNot 27: [ OK ] SimdScalarTest.andNot (0 ms) 27: [ RUN ] SimdScalarTest.fma 27: [ OK ] SimdScalarTest.fma (0 ms) 27: [ RUN ] SimdScalarTest.fms 27: [ OK ] SimdScalarTest.fms (0 ms) 27: [ RUN ] SimdScalarTest.fnma 27: [ OK ] SimdScalarTest.fnma (0 ms) 27: [ RUN ] SimdScalarTest.fnms 27: [ OK ] SimdScalarTest.fnms (0 ms) 27: [ RUN ] SimdScalarTest.maskAdd 27: [ OK ] SimdScalarTest.maskAdd (0 ms) 27: [ RUN ] SimdScalarTest.maskzMul 27: [ OK ] SimdScalarTest.maskzMul (0 ms) 27: [ RUN ] SimdScalarTest.maskzFma 27: [ OK ] SimdScalarTest.maskzFma (0 ms) 27: [ RUN ] SimdScalarTest.abs 27: [ OK ] SimdScalarTest.abs (0 ms) 27: [ RUN ] SimdScalarTest.max 27: [ OK ] SimdScalarTest.max (0 ms) 27: [ RUN ] SimdScalarTest.min 27: [ OK ] SimdScalarTest.min (0 ms) 27: [ RUN ] SimdScalarTest.round 27: [ OK ] SimdScalarTest.round (0 ms) 27: [ RUN ] SimdScalarTest.trunc 27: [ OK ] SimdScalarTest.trunc (0 ms) 27: [ RUN ] SimdScalarTest.reduce 27: [ OK ] SimdScalarTest.reduce (0 ms) 27: [ RUN ] SimdScalarTest.testBits 27: [ OK ] SimdScalarTest.testBits (0 ms) 27: [ RUN ] SimdScalarTest.anyTrue 27: [ OK ] SimdScalarTest.anyTrue (0 ms) 27: [ RUN ] SimdScalarTest.selectByMask 27: [ OK ] SimdScalarTest.selectByMask (0 ms) 27: [ RUN ] SimdScalarTest.selectByNotMask 27: [ OK ] SimdScalarTest.selectByNotMask (0 ms) 27: [ RUN ] SimdScalarTest.blend 27: [ OK ] SimdScalarTest.blend (0 ms) 27: [ RUN ] SimdScalarTest.cvtR2I 27: [ OK ] SimdScalarTest.cvtR2I (0 ms) 27: [ RUN ] SimdScalarTest.cvttR2I 27: [ OK ] SimdScalarTest.cvttR2I (0 ms) 27: [ RUN ] SimdScalarTest.cvtI2R 27: [ OK ] SimdScalarTest.cvtI2R (0 ms) 27: [ RUN ] SimdScalarTest.cvtF2D 27: [ OK ] SimdScalarTest.cvtF2D (0 ms) 27: [ RUN ] SimdScalarTest.cvtD2D 27: [ OK ] SimdScalarTest.cvtD2D (0 ms) 27: [ RUN ] SimdScalarTest.loadI 27: [ OK ] SimdScalarTest.loadI (0 ms) 27: [ RUN ] SimdScalarTest.loadUI 27: [ OK ] SimdScalarTest.loadUI (0 ms) 27: [ RUN ] SimdScalarTest.storeI 27: [ OK ] SimdScalarTest.storeI (0 ms) 27: [ RUN ] SimdScalarTest.storeUI 27: [ OK ] SimdScalarTest.storeUI (0 ms) 27: [ RUN ] SimdScalarTest.andNotI 27: [ OK ] SimdScalarTest.andNotI (0 ms) 27: [ RUN ] SimdScalarTest.testBitsI 27: [ OK ] SimdScalarTest.testBitsI (0 ms) 27: [ RUN ] SimdScalarTest.selectByMaskI 27: [ OK ] SimdScalarTest.selectByMaskI (0 ms) 27: [ RUN ] SimdScalarTest.selectByNotMaskI 27: [ OK ] SimdScalarTest.selectByNotMaskI (0 ms) 27: [ RUN ] SimdScalarTest.blendI 27: [ OK ] SimdScalarTest.blendI (0 ms) 27: [ RUN ] SimdScalarTest.cvtB2IB 27: [ OK ] SimdScalarTest.cvtB2IB (0 ms) 27: [ RUN ] SimdScalarTest.cvtIB2B 27: [ OK ] SimdScalarTest.cvtIB2B (0 ms) 27: [ RUN ] SimdScalarTest.expandScalarsToTriplets 27: [ OK ] SimdScalarTest.expandScalarsToTriplets (0 ms) 27: [----------] 41 tests from SimdScalarTest (1 ms total) 27: 27: [----------] 8 tests from SimdScalarUtilTest 27: [ RUN ] SimdScalarUtilTest.gatherLoadTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.gatherLoadUTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadUTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.transposeScatterStoreU 27: [ OK ] SimdScalarUtilTest.transposeScatterStoreU (0 ms) 27: [ RUN ] SimdScalarUtilTest.transposeScatterIncrU 27: [ OK ] SimdScalarUtilTest.transposeScatterIncrU (0 ms) 27: [ RUN ] SimdScalarUtilTest.transposeScatterDecrU 27: [ OK ] SimdScalarUtilTest.transposeScatterDecrU (0 ms) 27: [ RUN ] SimdScalarUtilTest.gatherLoadBySimdIntTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadBySimdIntTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.gatherLoadUBySimdIntTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadUBySimdIntTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.reduceIncr4ReturnSum 27: [ OK ] SimdScalarUtilTest.reduceIncr4ReturnSum (0 ms) 27: [----------] 8 tests from SimdScalarUtilTest (0 ms total) 27: 27: [----------] 37 tests from SimdScalarMathTest 27: [ RUN ] SimdScalarMathTest.copysign 27: [ OK ] SimdScalarMathTest.copysign (0 ms) 27: [ RUN ] SimdScalarMathTest.invsqrtPair 27: [ OK ] SimdScalarMathTest.invsqrtPair (0 ms) 27: [ RUN ] SimdScalarMathTest.inv 27: [ OK ] SimdScalarMathTest.inv (0 ms) 27: [ RUN ] SimdScalarMathTest.maskzInvsqrt 27: [ OK ] SimdScalarMathTest.maskzInvsqrt (0 ms) 27: [ RUN ] SimdScalarMathTest.log 27: [ OK ] SimdScalarMathTest.log (0 ms) 27: [ RUN ] SimdScalarMathTest.exp2 27: [ OK ] SimdScalarMathTest.exp2 (0 ms) 27: [ RUN ] SimdScalarMathTest.exp 27: [ OK ] SimdScalarMathTest.exp (0 ms) 27: [ RUN ] SimdScalarMathTest.erf 27: [ OK ] SimdScalarMathTest.erf (0 ms) 27: [ RUN ] SimdScalarMathTest.erfc 27: [ OK ] SimdScalarMathTest.erfc (0 ms) 27: [ RUN ] SimdScalarMathTest.sincos 27: [ OK ] SimdScalarMathTest.sincos (0 ms) 27: [ RUN ] SimdScalarMathTest.sin 27: [ OK ] SimdScalarMathTest.sin (0 ms) 27: [ RUN ] SimdScalarMathTest.cos 27: [ OK ] SimdScalarMathTest.cos (0 ms) 27: [ RUN ] SimdScalarMathTest.tan 27: [ OK ] SimdScalarMathTest.tan (0 ms) 27: [ RUN ] SimdScalarMathTest.asin 27: [ OK ] SimdScalarMathTest.asin (0 ms) 27: [ RUN ] SimdScalarMathTest.acos 27: [ OK ] SimdScalarMathTest.acos (0 ms) 27: [ RUN ] SimdScalarMathTest.atan 27: [ OK ] SimdScalarMathTest.atan (0 ms) 27: [ RUN ] SimdScalarMathTest.atan2 27: [ OK ] SimdScalarMathTest.atan2 (0 ms) 27: [ RUN ] SimdScalarMathTest.pmeForceCorrection 27: [ OK ] SimdScalarMathTest.pmeForceCorrection (0 ms) 27: [ RUN ] SimdScalarMathTest.pmePotentialCorrection 27: [ OK ] SimdScalarMathTest.pmePotentialCorrection (0 ms) 27: [ RUN ] SimdScalarMathTest.invsqrtPairSingleAccuracy 27: [ OK ] SimdScalarMathTest.invsqrtPairSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.invSingleAccuracy 27: [ OK ] SimdScalarMathTest.invSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.maskzInvsqrtSingleAccuracy 27: [ OK ] SimdScalarMathTest.maskzInvsqrtSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.logSingleAccuracy 27: [ OK ] SimdScalarMathTest.logSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.exp2SingleAccuracy 27: [ OK ] SimdScalarMathTest.exp2SingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.expSingleAccuracy 27: [ OK ] SimdScalarMathTest.expSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.erfSingleAccuracy 27: [ OK ] SimdScalarMathTest.erfSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.erfcSingleAccuracy 27: [ OK ] SimdScalarMathTest.erfcSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.sincosSingleAccuracy 27: [ OK ] SimdScalarMathTest.sincosSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.sinSingleAccuracy 27: [ OK ] SimdScalarMathTest.sinSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.cosSingleAccuracy 27: [ OK ] SimdScalarMathTest.cosSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.tanSingleAccuracy 27: [ OK ] SimdScalarMathTest.tanSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.asinSingleAccuracy 27: [ OK ] SimdScalarMathTest.asinSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.acosSingleAccuracy 27: [ OK ] SimdScalarMathTest.acosSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.atanSingleAccuracy 27: [ OK ] SimdScalarMathTest.atanSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.atan2SingleAccuracy 27: [ OK ] SimdScalarMathTest.atan2SingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.pmeForceCorrectionSingleAccuracy 27: [ OK ] SimdScalarMathTest.pmeForceCorrectionSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.pmePotentialCorrectionSingleAccuracy 27: [ OK ] SimdScalarMathTest.pmePotentialCorrectionSingleAccuracy (0 ms) 27: [----------] 37 tests from SimdScalarMathTest (1 ms total) 27: 27: [----------] Global test environment tear-down 27: [==========] 288 tests from 22 test cases ran. (112 ms total) 27: [ PASSED ] 288 tests. 27/30 Test #27: SimdUnitTests .................... Passed 0.14 sec test 28 Start 28: CompatibilityHelpersTests 28: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/compat-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/CompatibilityHelpersTests.xml" 28: Test timeout computed to be: 30 28: [==========] Running 170 tests from 12 test cases. 28: [----------] Global test environment set-up. 28: [----------] 45 tests from OptionalTest 28: [ RUN ] OptionalTest.UnionCanContainNonPodTypes 28: [ OK ] OptionalTest.UnionCanContainNonPodTypes (0 ms) 28: [ RUN ] OptionalTest.CanDefaultConstructEmpty 28: [ OK ] OptionalTest.CanDefaultConstructEmpty (0 ms) 28: [ RUN ] OptionalTest.CanConstructFromNullopt 28: [ OK ] OptionalTest.CanConstructFromNullopt (0 ms) 28: [ RUN ] OptionalTest.CanDefaultConstructUsingNonDefaultConstructibleType 28: [ OK ] OptionalTest.CanDefaultConstructUsingNonDefaultConstructibleType (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromEmptyOptional 28: [ OK ] OptionalTest.CanCopyConstructFromEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromEmptyOptional 28: [ OK ] OptionalTest.CanMoveConstructFromEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromEmptyOptionalWithExplicitConversion 28: [ OK ] OptionalTest.CanCopyConstructFromEmptyOptionalWithExplicitConversion (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanCopyConstructFromEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromEmptyOptionalExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromEmptyOptionalExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromNonEmptyOptional 28: [ OK ] OptionalTest.CanCopyConstructFromNonEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromNonEmptyOptionalExplicitConverting 28: [ OK ] OptionalTest.CanCopyConstructFromNonEmptyOptionalExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromNonEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanCopyConstructFromNonEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromNonEmptyOptional 28: [ OK ] OptionalTest.CanMoveConstructFromNonEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromNonEmptyOptionalExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromNonEmptyOptionalExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromNonEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromNonEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromLiteral 28: [ OK ] OptionalTest.CanCopyConstructFromLiteral (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromLiteralConverting 28: [ OK ] OptionalTest.CanCopyConstructFromLiteralConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromValue 28: [ OK ] OptionalTest.CanCopyConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromValueConverting 28: [ OK ] OptionalTest.CanCopyConstructFromValueConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromValue 28: [ OK ] OptionalTest.CanMoveConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromValueExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromValueExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromValueNonExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromValueNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceConstructFromLiteral 28: [ OK ] OptionalTest.CanInPlaceConstructFromLiteral (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceCopyConstructFromValue 28: [ OK ] OptionalTest.CanInPlaceCopyConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceMoveConstructFromValue 28: [ OK ] OptionalTest.CanInPlaceMoveConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceCopyConstructFromInitializerList 28: [ OK ] OptionalTest.CanInPlaceCopyConstructFromInitializerList (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceMoveConstructFromInitializerList 28: [ OK ] OptionalTest.CanInPlaceMoveConstructFromInitializerList (0 ms) 28: [ RUN ] OptionalTest.CanAssignNulloptToDisengage 28: [ OK ] OptionalTest.CanAssignNulloptToDisengage (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionals 28: [ OK ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionals (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionalsConverting 28: [ OK ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionalsConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionalsConverting 28: [ OK ] OptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionalsConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignFromLiteral 28: [ OK ] OptionalTest.CanCopyAssignFromLiteral (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignFromValue 28: [ OK ] OptionalTest.CanCopyAssignFromValue (0 ms) 28: [ RUN ] OptionalTest.CanMoveAssignFromValue 28: [ OK ] OptionalTest.CanMoveAssignFromValue (0 ms) 28: [ RUN ] OptionalTest.CanCopyEmplaceFromArguments 28: [ OK ] OptionalTest.CanCopyEmplaceFromArguments (0 ms) 28: [ RUN ] OptionalTest.CanMoveEmplaceFromArguments 28: [ OK ] OptionalTest.CanMoveEmplaceFromArguments (0 ms) 28: [ RUN ] OptionalTest.CanCopyEmplaceFromInitializerListAndArguments 28: [ OK ] OptionalTest.CanCopyEmplaceFromInitializerListAndArguments (0 ms) 28: [ RUN ] OptionalTest.CanMoveEmplaceFromInitializerListAndArguments 28: [ OK ] OptionalTest.CanMoveEmplaceFromInitializerListAndArguments (0 ms) 28: [ RUN ] OptionalTest.CanResetContent 28: [ OK ] OptionalTest.CanResetContent (0 ms) 28: [ RUN ] OptionalTest.ProvidesRelationalOperators 28: [ OK ] OptionalTest.ProvidesRelationalOperators (0 ms) 28: [ RUN ] OptionalTest.ProvidesMixedTypeRelationalOperators 28: [ OK ] OptionalTest.ProvidesMixedTypeRelationalOperators (0 ms) 28: [ RUN ] OptionalTest.CanProduceHash 28: [ OK ] OptionalTest.CanProduceHash (0 ms) 28: [ RUN ] OptionalTest.ShowAlignmentDependingOnBaseType 28: alignment_of: 1 28: alignment_of: 2 28: alignment_of: 4 28: alignment_of: 8 28: alignment_of: 4 28: alignment_of: 8 28: alignment_of: 16 28: alignment_of: 1 28: [ OK ] OptionalTest.ShowAlignmentDependingOnBaseType (0 ms) 28: [ RUN ] OptionalTest.ShowSizeDependingOnBaseType 28: sizeof( nonstd::optional_lite::detail::storage_t ): 1 28: sizeof( optional ): 2 (1) 28: sizeof( optional ): 4 (2) 28: sizeof( optional ): 8 (4) 28: sizeof( optional ): 16 (8) 28: sizeof( optional ): 8 (4) 28: sizeof( optional ): 16 (8) 28: sizeof( optional ): 32 (16) 28: sizeof( optional ): 2 (1) 28: [ OK ] OptionalTest.ShowSizeDependingOnBaseType (0 ms) 28: [----------] 45 tests from OptionalTest (1 ms total) 28: 28: [----------] 7 tests from MakeOptionalTest 28: [ RUN ] MakeOptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionals 28: [ OK ] MakeOptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionals (0 ms) 28: [ RUN ] MakeOptionalTest.CanCopyConstruct 28: [ OK ] MakeOptionalTest.CanCopyConstruct (0 ms) 28: [ RUN ] MakeOptionalTest.CanMoveConstruct 28: [ OK ] MakeOptionalTest.CanMoveConstruct (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceCopyConstructFromArguments 28: [ OK ] MakeOptionalTest.CanInPlaceCopyConstructFromArguments (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceMoveConstructFromArguments 28: [ OK ] MakeOptionalTest.CanInPlaceMoveConstructFromArguments (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceCopyConstructFromInitializerListAndArguments 28: [ OK ] MakeOptionalTest.CanInPlaceCopyConstructFromInitializerListAndArguments (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceMoveConstructFromInitializerListAndArguments 28: [ OK ] MakeOptionalTest.CanInPlaceMoveConstructFromInitializerListAndArguments (0 ms) 28: [----------] 7 tests from MakeOptionalTest (0 ms total) 28: 28: [----------] 4 tests from OptionalMemberSwapTest 28: [ RUN ] OptionalMemberSwapTest.CanSwapDisengagedWithDisengaged 28: [ OK ] OptionalMemberSwapTest.CanSwapDisengagedWithDisengaged (0 ms) 28: [ RUN ] OptionalMemberSwapTest.CanSwapEngagedWithDisengaged 28: [ OK ] OptionalMemberSwapTest.CanSwapEngagedWithDisengaged (0 ms) 28: [ RUN ] OptionalMemberSwapTest.CanSwapDisengagedWithEngaged 28: [ OK ] OptionalMemberSwapTest.CanSwapDisengagedWithEngaged (0 ms) 28: [ RUN ] OptionalMemberSwapTest.CanSwapEngagedWithEngaged 28: [ OK ] OptionalMemberSwapTest.CanSwapEngagedWithEngaged (0 ms) 28: [----------] 4 tests from OptionalMemberSwapTest (0 ms total) 28: 28: [----------] 4 tests from OptionalImplicitValueTest 28: [ RUN ] OptionalImplicitValueTest.CanObtainValueConst 28: [ OK ] OptionalImplicitValueTest.CanObtainValueConst (0 ms) 28: [ RUN ] OptionalImplicitValueTest.CanObtainValueNonConst 28: [ OK ] OptionalImplicitValueTest.CanObtainValueNonConst (0 ms) 28: [ RUN ] OptionalImplicitValueTest.CanObtainMovedFromValueConst 28: [ OK ] OptionalImplicitValueTest.CanObtainMovedFromValueConst (0 ms) 28: [ RUN ] OptionalImplicitValueTest.CanObtainMovedFromValueNonConst 28: [ OK ] OptionalImplicitValueTest.CanObtainMovedFromValueNonConst (0 ms) 28: [----------] 4 tests from OptionalImplicitValueTest (0 ms total) 28: 28: [----------] 20 tests from OptionalIntValueTest 28: [ RUN ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorConst 28: [ OK ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorNonConst 28: [ OK ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorNonConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainHasValueViaOperatorBool 28: [ OK ] OptionalIntValueTest.CanObtainHasValueViaOperatorBool (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueViaValueMethodConst 28: [ OK ] OptionalIntValueTest.CanObtainValueViaValueMethodConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueViaValueMethodNonConst 28: [ OK ] OptionalIntValueTest.CanObtainValueViaValueMethodNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodNonConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueFromNonEmptyOptionalViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainValueFromNonEmptyOptionalViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainDefaultFromEmptyOptionalViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainDefaultFromEmptyOptionalViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedFromValueForLValuesViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainMovedFromValueForLValuesViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedFromValueForRValuesViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainMovedFromValueForRValuesViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForLValues 28: [ OK ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForLValues (0 ms) 28: [ RUN ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForRValues 28: [ OK ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForRValues (0 ms) 28: [ RUN ] OptionalIntValueTest.ThrowsBadOptionalAccessWithNonEmptyWhatMethod 28: [ OK ] OptionalIntValueTest.ThrowsBadOptionalAccessWithNonEmptyWhatMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithDisengaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithDisengaged (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithEngaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithEngaged (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithEngaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithEngaged (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithDisengaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithDisengaged (0 ms) 28: [----------] 20 tests from OptionalIntValueTest (1 ms total) 28: 28: [----------] 1 test from NotNullConstruction 28: [ RUN ] NotNullConstruction.Works 28: [ OK ] NotNullConstruction.Works (0 ms) 28: [----------] 1 test from NotNullConstruction (0 ms total) 28: 28: [----------] 1 test from NotNullCasting 28: [ RUN ] NotNullCasting.Works 28: [ OK ] NotNullCasting.Works (0 ms) 28: [----------] 1 test from NotNullCasting (0 ms total) 28: 28: [----------] 1 test from NotNullAssignment 28: [ RUN ] NotNullAssignment.Works 28: [ OK ] NotNullAssignment.Works (0 ms) 28: [----------] 1 test from NotNullAssignment (0 ms total) 28: 28: [----------] 1 test from MakeNotNull 28: [ RUN ] MakeNotNull.Works 28: [ OK ] MakeNotNull.Works (0 ms) 28: [----------] 1 test from MakeNotNull (0 ms total) 28: 28: [----------] 1 test from NotNull 28: [ RUN ] NotNull.WorksInContainers 28: [ OK ] NotNull.WorksInContainers (0 ms) 28: [----------] 1 test from NotNull (0 ms total) 28: 28: [----------] 80 tests from StringViewTest 28: [ RUN ] StringViewTest.CanDefaultConstructEmptyView 28: [ OK ] StringViewTest.CanDefaultConstructEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanConstructFromPointerAndSize 28: [ OK ] StringViewTest.CanConstructFromPointerAndSize (0 ms) 28: [ RUN ] StringViewTest.CanConstructFromCString 28: [ OK ] StringViewTest.CanConstructFromCString (0 ms) 28: [ RUN ] StringViewTest.CanCopyConstructFromEmptyView 28: [ OK ] StringViewTest.CanCopyConstructFromEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanCopyConstructFromNonEmptyView 28: [ OK ] StringViewTest.CanCopyConstructFromNonEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanCopyAssingFromEmptyView 28: [ OK ] StringViewTest.CanCopyAssingFromEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanCopyAssingFromNonEmptyView 28: [ OK ] StringViewTest.CanCopyAssingFromNonEmptyView (0 ms) 28: [ RUN ] StringViewTest.AllowForwardIteration 28: [ OK ] StringViewTest.AllowForwardIteration (0 ms) 28: [ RUN ] StringViewTest.AllowConstForwardIteration 28: [ OK ] StringViewTest.AllowConstForwardIteration (0 ms) 28: [ RUN ] StringViewTest.AllowReverseIteration 28: [ OK ] StringViewTest.AllowReverseIteration (0 ms) 28: [ RUN ] StringViewTest.AllowConstReverseIteration 28: [ OK ] StringViewTest.AllowConstReverseIteration (0 ms) 28: [ RUN ] StringViewTest.CanObtainSizeFromViewViaSize 28: [ OK ] StringViewTest.CanObtainSizeFromViewViaSize (0 ms) 28: [ RUN ] StringViewTest.CanObtainSizeFromViewViaLength 28: [ OK ] StringViewTest.CanObtainSizeFromViewViaLength (0 ms) 28: [ RUN ] StringViewTest.CanObtainMaxSizeViaMaxSize 28: [ OK ] StringViewTest.CanObtainMaxSizeViaMaxSize (0 ms) 28: [ RUN ] StringViewTest.CanCheckForEmptyStringWithEmpty 28: [ OK ] StringViewTest.CanCheckForEmptyStringWithEmpty (0 ms) 28: [ RUN ] StringViewTest.CanAccessElementViaArrayIndex 28: [ OK ] StringViewTest.CanAccessElementViaArrayIndex (0 ms) 28: [ RUN ] StringViewTest.CanAccessElementViaAt 28: [ OK ] StringViewTest.CanAccessElementViaAt (0 ms) 28: [ RUN ] StringViewTest.ThrowsOnOutOfBoundsAccess 28: [ OK ] StringViewTest.ThrowsOnOutOfBoundsAccess (0 ms) 28: [ RUN ] StringViewTest.CanAccessAllElementsViaData 28: [ OK ] StringViewTest.CanAccessAllElementsViaData (0 ms) 28: [ RUN ] StringViewTest.DataFromEmptyStringIsNullptr 28: [ OK ] StringViewTest.DataFromEmptyStringIsNullptr (0 ms) 28: [ RUN ] StringViewTest.CanRemovePrefix 28: [ OK ] StringViewTest.CanRemovePrefix (0 ms) 28: [ RUN ] StringViewTest.CanRemoveSuffix 28: [ OK ] StringViewTest.CanRemoveSuffix (0 ms) 28: [ RUN ] StringViewTest.CanSwapWithOtherView 28: [ OK ] StringViewTest.CanSwapWithOtherView (0 ms) 28: [ RUN ] StringViewTest.CanCopySubstringWithCopy 28: [ OK ] StringViewTest.CanCopySubstringWithCopy (0 ms) 28: [ RUN ] StringViewTest.ThrowsOnOutOfBoundsCopy 28: [ OK ] StringViewTest.ThrowsOnOutOfBoundsCopy (0 ms) 28: [ RUN ] StringViewTest.CanObtainSubstringWithSubstr 28: [ OK ] StringViewTest.CanObtainSubstringWithSubstr (0 ms) 28: [ RUN ] StringViewTest.ThrowsOnOutOfBoundsSubstr 28: [ OK ] StringViewTest.ThrowsOnOutOfBoundsSubstr (0 ms) 28: [ RUN ] StringViewTest.CanLexicallyCompareViewWithCompare 28: [ OK ] StringViewTest.CanLexicallyCompareViewWithCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareEmptyViewsWIthCompare 28: [ OK ] StringViewTest.CanCompareEmptyViewsWIthCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringWithViewViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringWithViewViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringWithSubStringViewViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringWithSubStringViewViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareToCStringViaCompare 28: [ OK ] StringViewTest.CanCompareToCStringViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringToCStringViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringToCStringViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringToCStringPrefixViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringToCStringPrefixViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCheckForPrefixViewViaStartsWith 28: [ OK ] StringViewTest.CanCheckForPrefixViewViaStartsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForPrefixCharacterViaStartsWith 28: [ OK ] StringViewTest.CanCheckForPrefixCharacterViaStartsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForPrefixCStringViaStartsWith 28: [ OK ] StringViewTest.CanCheckForPrefixCStringViaStartsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForSuffixViewViaEndsWith 28: [ OK ] StringViewTest.CanCheckForSuffixViewViaEndsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForSuffixCharacterViaEndsWith 28: [ OK ] StringViewTest.CanCheckForSuffixCharacterViaEndsWith (1 ms) 28: [ RUN ] StringViewTest.CanCheckForSuffixCStringViaEndsWith 28: [ OK ] StringViewTest.CanCheckForSuffixCStringViaEndsWith (0 ms) 28: [ RUN ] StringViewTest.CanSearchForViewSubstrViaFind 28: [ OK ] StringViewTest.CanSearchForViewSubstrViaFind (0 ms) 28: [ RUN ] StringViewTest.CanSearchForCharacterViaFind 28: [ OK ] StringViewTest.CanSearchForCharacterViaFind (0 ms) 28: [ RUN ] StringViewTest.CanSearchForCStringSubstringViaFind 28: [ OK ] StringViewTest.CanSearchForCStringSubstringViaFind (0 ms) 28: [ RUN ] StringViewTest.CanSearchForCStringSubstringViaFindWithDefaultPos 28: [ OK ] StringViewTest.CanSearchForCStringSubstringViaFindWithDefaultPos (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForViewSubstrViaFind 28: [ OK ] StringViewTest.CanBackwardsSearchForViewSubstrViaFind (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForCharacterViaFind 28: [ OK ] StringViewTest.CanBackwardsSearchForCharacterViaFind (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFind 28: [ OK ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFind (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFindWithDefaultPos 28: [ OK ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFindWithDefaultPos (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfAnyCharacterInView 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfAnyCharacterInView (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfCharacter 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfCharacter (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCStringInLenght 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCStringInLenght (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCString 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCString (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfAnyCharacterInView 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfAnyCharacterInView (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharacter 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharacter (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCStringInLenght 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCStringInLenght (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCString 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCString (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNotFoundCharacter 28: [ OK ] StringViewTest.CanSearchForFirstNotFoundCharacter (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNonMatchingCharacter 28: [ OK ] StringViewTest.CanSearchForFirstNonMatchingCharacter (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCStringInLength 28: [ OK ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCStringInLength (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCString 28: [ OK ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCString (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForForstNonFoundCharacterInView 28: [ OK ] StringViewTest.CanBackwardsSearchForForstNonFoundCharacterInView (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForFirstNonMatchingCharacter 28: [ OK ] StringViewTest.CanBackwardsSearchForFirstNonMatchingCharacter (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCStringInLength 28: [ OK ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCStringInLength (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCString 28: [ OK ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCString (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSV 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSV (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSVInStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSVInStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SV 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SV (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SVInStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SVInStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCompareToViews 28: [ OK ] StringViewTest.CanCompareToViews (0 ms) 28: [ RUN ] StringViewTest.CanCompareViewToImplicitlyConvertedView 28: [ OK ] StringViewTest.CanCompareViewToImplicitlyConvertedView (0 ms) 28: [ RUN ] StringViewTest.EmptyViewsCompareAsEqual 28: [ OK ] StringViewTest.EmptyViewsCompareAsEqual (0 ms) 28: [ RUN ] StringViewTest.CanPrintViewToPutputStream 28: [ OK ] StringViewTest.CanPrintViewToPutputStream (0 ms) 28: [ RUN ] StringViewTest.HashOfViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfViewIsEqualToHashOfString (0 ms) 28: [ RUN ] StringViewTest.HashOfWStringViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfWStringViewIsEqualToHashOfString (0 ms) 28: [ RUN ] StringViewTest.HashOfU16StringViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfU16StringViewIsEqualToHashOfString (0 ms) 28: [ RUN ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString (0 ms) 28: [----------] 80 tests from StringViewTest (1 ms total) 28: 28: [----------] 5 tests from StringViewExtensionTest 28: [ RUN ] StringViewExtensionTest.CanConstructViewFromString 28: [ OK ] StringViewExtensionTest.CanConstructViewFromString (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViaExplicitOperator 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViaExplicitOperator (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViaToString 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViaToString (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViaToStringFreeFunction 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViaToStringFreeFunction (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViewViaToStringView 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViewViaToStringView (0 ms) 28: [----------] 5 tests from StringViewExtensionTest (0 ms total) 28: 28: [----------] Global test environment tear-down 28: [==========] 170 tests from 12 test cases ran. (3 ms total) 28: [ PASSED ] 170 tests. 28/30 Test #28: CompatibilityHelpersTests ........ Passed 0.03 sec test 29 Start 29: FileIOTests 29: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/fileio-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/FileIOTests.xml" 29: Test timeout computed to be: 30 29: [==========] Running 33 tests from 8 test cases. 29: [----------] Global test environment set-up. 29: [----------] 2 tests from FileMD5Test 29: [ RUN ] FileMD5Test.CanComputeMD5 29: [ OK ] FileMD5Test.CanComputeMD5 (7 ms) 29: [ RUN ] FileMD5Test.ReturnsErrorIfFileModeIsWrong 29: [ OK ] FileMD5Test.ReturnsErrorIfFileModeIsWrong (0 ms) 29: [----------] 2 tests from FileMD5Test (7 ms total) 29: 29: [----------] 3 tests from MrcSerializer 29: [ RUN ] MrcSerializer.DefaultHeaderValuesAreSet 29: [ OK ] MrcSerializer.DefaultHeaderValuesAreSet (0 ms) 29: [ RUN ] MrcSerializer.DefaultHeaderHasRightSerialSize 29: [ OK ] MrcSerializer.DefaultHeaderHasRightSerialSize (0 ms) 29: [ RUN ] MrcSerializer.DefaultHeaderIdenticalAfterRoundTrip 29: [ OK ] MrcSerializer.DefaultHeaderIdenticalAfterRoundTrip (1 ms) 29: [----------] 3 tests from MrcSerializer (1 ms total) 29: 29: [----------] 4 tests from MrcDensityMap 29: [ RUN ] MrcDensityMap.RoundTripIsIdempotent 29: [ OK ] MrcDensityMap.RoundTripIsIdempotent (1 ms) 29: [ RUN ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent 29: [ OK ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent (0 ms) 29: [ RUN ] MrcDensityMap.ReadsCoordinateTransformationFromFile 29: [ OK ] MrcDensityMap.ReadsCoordinateTransformationFromFile (0 ms) 29: [ RUN ] MrcDensityMap.ReadsDensityDataFromFile 29: [ OK ] MrcDensityMap.ReadsDensityDataFromFile (2 ms) 29: [----------] 4 tests from MrcDensityMap (3 ms total) 29: 29: [----------] 8 tests from MrcDensityMapHeaderTest 29: [ RUN ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader 29: [ OK ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.DataSizeIsCorrect 29: [ OK ] MrcDensityMapHeaderTest.DataSizeIsCorrect (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.DataSizeThrowsWhenInvalid 29: [ OK ] MrcDensityMapHeaderTest.DataSizeThrowsWhenInvalid (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformNoOriginGiven 29: [ OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformNoOriginGiven (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithOriginDefined 29: [ OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithOriginDefined (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithStartValues 29: [ OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithStartValues (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectExtents 29: [ OK ] MrcDensityMapHeaderTest.GetsCorrectExtents (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.IsSane 29: [ OK ] MrcDensityMapHeaderTest.IsSane (0 ms) 29: [----------] 8 tests from MrcDensityMapHeaderTest (0 ms total) 29: 29: [----------] 9 tests from ReadTest 29: [ RUN ] ReadTest.get_eint_ReadsInteger 29: [ OK ] ReadTest.get_eint_ReadsInteger (0 ms) 29: [ RUN ] ReadTest.get_eint_WarnsAboutFloat 29: 29: ERROR 1 [file unknown, line 0]: 29: Right hand side '0.8' for parameter 'test' in parameter file is not an 29: integer value 29: 29: 29: [ OK ] ReadTest.get_eint_WarnsAboutFloat (0 ms) 29: [ RUN ] ReadTest.get_eint_WarnsAboutString 29: 29: ERROR 1 [file unknown, line 0]: 29: Right hand side 'hello' for parameter 'test' in parameter file is not an 29: integer value 29: 29: 29: [ OK ] ReadTest.get_eint_WarnsAboutString (0 ms) 29: [ RUN ] ReadTest.get_eint64_ReadsInteger 29: [ OK ] ReadTest.get_eint64_ReadsInteger (0 ms) 29: [ RUN ] ReadTest.get_eint64_WarnsAboutFloat 29: 29: ERROR 1 [file unknown, line 0]: 29: Right hand side '0.8' for parameter 'test' in parameter file is not an 29: integer value 29: 29: 29: [ OK ] ReadTest.get_eint64_WarnsAboutFloat (0 ms) 29: [ RUN ] ReadTest.get_eint64_WarnsAboutString 29: 29: ERROR 1 [file unknown, line 0]: 29: Right hand side 'hello' for parameter 'test' in parameter file is not an 29: integer value 29: 29: 29: [ OK ] ReadTest.get_eint64_WarnsAboutString (0 ms) 29: [ RUN ] ReadTest.get_ereal_ReadsInteger 29: [ OK ] ReadTest.get_ereal_ReadsInteger (0 ms) 29: [ RUN ] ReadTest.get_ereal_ReadsFloat 29: [ OK ] ReadTest.get_ereal_ReadsFloat (0 ms) 29: [ RUN ] ReadTest.get_ereal_WarnsAboutString 29: 29: ERROR 1 [file unknown, line 0]: 29: Right hand side 'hello' for parameter 'test' in parameter file is not a 29: real value 29: 29: 29: [ OK ] ReadTest.get_ereal_WarnsAboutString (0 ms) 29: [----------] 9 tests from ReadTest (0 ms total) 29: 29: [----------] 1 test from FileIOXdrSerializerTest 29: [ RUN ] FileIOXdrSerializerTest.SizeIsCorrect 29: [ OK ] FileIOXdrSerializerTest.SizeIsCorrect (0 ms) 29: [----------] 1 test from FileIOXdrSerializerTest (0 ms total) 29: 29: [----------] 2 tests from TngTest 29: [ RUN ] TngTest.CanOpenTngFile 29: TNG library: Cannot open file spc2-traj.tng. ./src/external/tng_io/src/lib/tng_io.c: 890 29: TNG library: Cannot open file spc2-traj.tng. ./src/external/tng_io/src/lib/tng_io.c: 890 29: [ OK ] TngTest.CanOpenTngFile (0 ms) 29: [ RUN ] TngTest.CloseBeforeOpenIsNotFatal 29: [ OK ] TngTest.CloseBeforeOpenIsNotFatal (0 ms) 29: [----------] 2 tests from TngTest (1 ms total) 29: 29: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest 29: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0 29: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0 (0 ms) 29: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 29: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 (1 ms) 29: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 29: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 (8 ms) 29: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 29: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 (1 ms) 29: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (10 ms total) 29: 29: [----------] Global test environment tear-down 29: [==========] 33 tests from 8 test cases ran. (22 ms total) 29: [ PASSED ] 33 tests. 29/30 Test #29: FileIOTests ...................... Passed 0.07 sec test 30 Start 30: SelectionUnitTests 30: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/bin/selection-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/mpich/Testing/Temporary/SelectionUnitTests.xml" 30: Test timeout computed to be: 30 30: [==========] Running 192 tests from 11 test cases. 30: [----------] Global test environment set-up. 30: [----------] 1 test from IndexGroupTest 30: [ RUN ] IndexGroupTest.RemovesDuplicates 30: [ OK ] IndexGroupTest.RemovesDuplicates (0 ms) 30: [----------] 1 test from IndexGroupTest (0 ms total) 30: 30: [----------] 15 tests from IndexBlockTest 30: [ RUN ] IndexBlockTest.CreatesUnknownBlock 30: [ OK ] IndexBlockTest.CreatesUnknownBlock (6 ms) 30: [ RUN ] IndexBlockTest.CreatesAtomBlock 30: [ OK ] IndexBlockTest.CreatesAtomBlock (14 ms) 30: [ RUN ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology 30: [ OK ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology (5 ms) 30: [ RUN ] IndexBlockTest.CreatesResidueBlocksForComplexTopology 30: [ OK ] IndexBlockTest.CreatesResidueBlocksForComplexTopology (4 ms) 30: [ RUN ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology 30: [ OK ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology (4 ms) 30: [ RUN ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology 30: [ OK ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology (4 ms) 30: [ RUN ] IndexBlockTest.CreatesSingleBlock 30: [ OK ] IndexBlockTest.CreatesSingleBlock (4 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForFullBlocksPositive 30: [ OK ] IndexBlockTest.ChecksGroupForFullBlocksPositive (0 ms) 30: [ RUN ] IndexBlockTest.ChecksOutOfOrderGroupForFullBlocksPositive 30: [ OK ] IndexBlockTest.ChecksOutOfOrderGroupForFullBlocksPositive (0 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForFullBlocksNegative 30: [ OK ] IndexBlockTest.ChecksGroupForFullBlocksNegative (0 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForCompleteElementsTrivial 30: [ OK ] IndexBlockTest.ChecksGroupForCompleteElementsTrivial (0 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForCompleteResiduesPositive 30: [ OK ] IndexBlockTest.ChecksGroupForCompleteResiduesPositive (0 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForCompleteResiduesNegative 30: [ OK ] IndexBlockTest.ChecksGroupForCompleteResiduesNegative (0 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForCompleteMoleculesPositive 30: [ OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesPositive (0 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative 30: [ OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative (0 ms) 30: [----------] 15 tests from IndexBlockTest (42 ms total) 30: 30: [----------] 11 tests from IndexMapTest 30: [ RUN ] IndexMapTest.InitializesAtomBlock 30: [ OK ] IndexMapTest.InitializesAtomBlock (4 ms) 30: [ RUN ] IndexMapTest.InitializesOrgIdGroupAtom 30: [ OK ] IndexMapTest.InitializesOrgIdGroupAtom (7 ms) 30: [ RUN ] IndexMapTest.InitializesOrgIdGroupSingle 30: [ OK ] IndexMapTest.InitializesOrgIdGroupSingle (4 ms) 30: [ RUN ] IndexMapTest.InitializesOrgIdGroupResidue 30: [ OK ] IndexMapTest.InitializesOrgIdGroupResidue (3 ms) 30: [ RUN ] IndexMapTest.InitializesOrgIdGroupMolecule 30: [ OK ] IndexMapTest.InitializesOrgIdGroupMolecule (1 ms) 30: [ RUN ] IndexMapTest.InitializesOrgIdGroupAll 30: [ OK ] IndexMapTest.InitializesOrgIdGroupAll (1 ms) 30: [ RUN ] IndexMapTest.InitializesMoleculeBlock 30: [ OK ] IndexMapTest.InitializesMoleculeBlock (3 ms) 30: [ RUN ] IndexMapTest.MapsSingleBlock 30: [ OK ] IndexMapTest.MapsSingleBlock (3 ms) 30: [ RUN ] IndexMapTest.MapsResidueBlocks 30: [ OK ] IndexMapTest.MapsResidueBlocks (5 ms) 30: [ RUN ] IndexMapTest.MapsResidueBlocksWithMask 30: [ OK ] IndexMapTest.MapsResidueBlocksWithMask (3 ms) 30: [ RUN ] IndexMapTest.HandlesMultipleRequests 30: [ OK ] IndexMapTest.HandlesMultipleRequests (6 ms) 30: [----------] 11 tests from IndexMapTest (40 ms total) 30: 30: [----------] 3 tests from IndexGroupsAndNamesTest 30: [ RUN ] IndexGroupsAndNamesTest.containsNames 30: [ OK ] IndexGroupsAndNamesTest.containsNames (0 ms) 30: [ RUN ] IndexGroupsAndNamesTest.throwsWhenNameMissing 30: [ OK ] IndexGroupsAndNamesTest.throwsWhenNameMissing (1 ms) 30: [ RUN ] IndexGroupsAndNamesTest.groupIndicesCorrect 30: [ OK ] IndexGroupsAndNamesTest.groupIndicesCorrect (0 ms) 30: [----------] 3 tests from IndexGroupsAndNamesTest (1 ms total) 30: 30: [----------] 15 tests from NeighborhoodSearchTest 30: [ RUN ] NeighborhoodSearchTest.SimpleSearch 30: [ OK ] NeighborhoodSearchTest.SimpleSearch (18 ms) 30: [ RUN ] NeighborhoodSearchTest.SimpleSearchXY 30: [ OK ] NeighborhoodSearchTest.SimpleSearchXY (10 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSearchBox 30: [ OK ] NeighborhoodSearchTest.GridSearchBox (2 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSearchTriclinic 30: [ OK ] NeighborhoodSearchTest.GridSearchTriclinic (6 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSearch2DPBC 30: [ OK ] NeighborhoodSearchTest.GridSearch2DPBC (3 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSearchNoPBC 30: [ OK ] NeighborhoodSearchTest.GridSearchNoPBC (1 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSearchXYBox 30: [ OK ] NeighborhoodSearchTest.GridSearchXYBox (2 ms) 30: [ RUN ] NeighborhoodSearchTest.SimpleSelfPairsSearch 30: [ OK ] NeighborhoodSearchTest.SimpleSelfPairsSearch (0 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSelfPairsSearch 30: [ OK ] NeighborhoodSearchTest.GridSelfPairsSearch (31 ms) 30: [ RUN ] NeighborhoodSearchTest.HandlesConcurrentSearches 30: [ OK ] NeighborhoodSearchTest.HandlesConcurrentSearches (0 ms) 30: [ RUN ] NeighborhoodSearchTest.HandlesNoPBC 30: [ OK ] NeighborhoodSearchTest.HandlesNoPBC (1 ms) 30: [ RUN ] NeighborhoodSearchTest.HandlesNullPBC 30: [ OK ] NeighborhoodSearchTest.HandlesNullPBC (0 ms) 30: [ RUN ] NeighborhoodSearchTest.HandlesSkippingPairs 30: [ OK ] NeighborhoodSearchTest.HandlesSkippingPairs (0 ms) 30: [ RUN ] NeighborhoodSearchTest.SimpleSearchExclusions 30: [ OK ] NeighborhoodSearchTest.SimpleSearchExclusions (3 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSearchExclusions 30: [ OK ] NeighborhoodSearchTest.GridSearchExclusions (0 ms) 30: [----------] 15 tests from NeighborhoodSearchTest (77 ms total) 30: 30: [----------] 12 tests from PositionCalculationTest 30: [ RUN ] PositionCalculationTest.ComputesAtomPositions 30: [ OK ] PositionCalculationTest.ComputesAtomPositions (8 ms) 30: [ RUN ] PositionCalculationTest.ComputesResidueCOGPositions 30: [ OK ] PositionCalculationTest.ComputesResidueCOGPositions (5 ms) 30: [ RUN ] PositionCalculationTest.ComputesResidueCOMPositions 30: [ OK ] PositionCalculationTest.ComputesResidueCOMPositions (4 ms) 30: [ RUN ] PositionCalculationTest.ComputesGroupCOGPositions 30: [ OK ] PositionCalculationTest.ComputesGroupCOGPositions (3 ms) 30: [ RUN ] PositionCalculationTest.ComputesGroupCOMPositions 30: [ OK ] PositionCalculationTest.ComputesGroupCOMPositions (2 ms) 30: [ RUN ] PositionCalculationTest.ComputesPositionsWithCompleteWhole 30: [ OK ] PositionCalculationTest.ComputesPositionsWithCompleteWhole (3 ms) 30: [ RUN ] PositionCalculationTest.ComputesPositionsWithCompleteMax 30: [ OK ] PositionCalculationTest.ComputesPositionsWithCompleteMax (3 ms) 30: [ RUN ] PositionCalculationTest.ComputesPositionMask 30: [ OK ] PositionCalculationTest.ComputesPositionMask (1 ms) 30: [ RUN ] PositionCalculationTest.HandlesFramesWithLessAtoms 30: [ OK ] PositionCalculationTest.HandlesFramesWithLessAtoms (0 ms) 30: [ RUN ] PositionCalculationTest.HandlesFramesWithLessAtoms2 30: [ OK ] PositionCalculationTest.HandlesFramesWithLessAtoms2 (2 ms) 30: [ RUN ] PositionCalculationTest.HandlesIdenticalStaticCalculations 30: [ OK ] PositionCalculationTest.HandlesIdenticalStaticCalculations (1 ms) 30: [ RUN ] PositionCalculationTest.HandlesOverlappingStaticCalculations 30: [ OK ] PositionCalculationTest.HandlesOverlappingStaticCalculations (0 ms) 30: [----------] 12 tests from PositionCalculationTest (33 ms total) 30: 30: [----------] 29 tests from SelectionCollectionTest 30: [ RUN ] SelectionCollectionTest.HandlesNoSelections 30: [ OK ] SelectionCollectionTest.HandlesNoSelections (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType 30: [ OK ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType (8 ms) 30: [ RUN ] SelectionCollectionTest.HandlesVelocityAndForceRequests 30: [ OK ] SelectionCollectionTest.HandlesVelocityAndForceRequests (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry 30: [ OK ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry (0 ms) 30: [ RUN ] SelectionCollectionTest.ParsesSelectionsFromFile 30: [ OK ] SelectionCollectionTest.ParsesSelectionsFromFile (3 ms) 30: [ RUN ] SelectionCollectionTest.HandlesAtypicalWhitespace 30: [ OK ] SelectionCollectionTest.HandlesAtypicalWhitespace (1 ms) 30: [ RUN ] SelectionCollectionTest.HandlesInvalidRegularExpressions 30: [ OK ] SelectionCollectionTest.HandlesInvalidRegularExpressions (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesMissingMethodParamValue 30: [ OK ] SelectionCollectionTest.HandlesMissingMethodParamValue (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesMissingMethodParamValue2 30: [ OK ] SelectionCollectionTest.HandlesMissingMethodParamValue2 (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesMissingMethodParamValue3 30: [ OK ] SelectionCollectionTest.HandlesMissingMethodParamValue3 (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1 30: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1 (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 30: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 (3 ms) 30: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 30: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2 30: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2 (1 ms) 30: [ RUN ] SelectionCollectionTest.HandlesUnsortedGroupReference 30: [ OK ] SelectionCollectionTest.HandlesUnsortedGroupReference (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesUnsortedGroupReferenceDelayed 30: [ OK ] SelectionCollectionTest.HandlesUnsortedGroupReferenceDelayed (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup 30: [ OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed 30: [ OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2 30: [ OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2 (0 ms) 30: [ RUN ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo 30: [ OK ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo (0 ms) 30: [ RUN ] SelectionCollectionTest.RecoversFromMissingAtomTypes 30: [ OK ] SelectionCollectionTest.RecoversFromMissingAtomTypes (0 ms) 30: [ RUN ] SelectionCollectionTest.RecoversFromMissingPDBInfo 30: [ OK ] SelectionCollectionTest.RecoversFromMissingPDBInfo (1 ms) 30: [ RUN ] SelectionCollectionTest.RecoversFromInvalidPermutation 30: [ OK ] SelectionCollectionTest.RecoversFromInvalidPermutation (0 ms) 30: [ RUN ] SelectionCollectionTest.RecoversFromInvalidPermutation2 30: [ OK ] SelectionCollectionTest.RecoversFromInvalidPermutation2 (0 ms) 30: [ RUN ] SelectionCollectionTest.RecoversFromInvalidPermutation3 30: [ OK ] SelectionCollectionTest.RecoversFromInvalidPermutation3 (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets 30: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets (1 ms) 30: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets2 30: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets2 (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3 30: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3 (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4 30: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4 (0 ms) 30: [----------] 29 tests from SelectionCollectionTest (20 ms total) 30: 30: [----------] 14 tests from SelectionCollectionInteractiveTest 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesBasicInput 30: [ OK ] SelectionCollectionInteractiveTest.HandlesBasicInput (3 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesContinuation 30: [ OK ] SelectionCollectionInteractiveTest.HandlesContinuation (0 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput 30: [ OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput (4 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput 30: [ OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput (0 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups 30: [ OK ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups (3 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections 30: [ OK ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections (0 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus 30: [ OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus (1 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus 30: [ OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus (0 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus 30: [ OK ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus (3 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline 30: [ OK ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline (1 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesEmptySelections 30: [ OK ] SelectionCollectionInteractiveTest.HandlesEmptySelections (1 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine 30: [ OK ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine (1 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput 30: [ OK ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput (0 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively 30: [ OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively (1 ms) 30: [----------] 14 tests from SelectionCollectionInteractiveTest (18 ms total) 30: 30: [----------] 66 tests from SelectionCollectionDataTest 30: [ RUN ] SelectionCollectionDataTest.HandlesAllNone 30: [ OK ] SelectionCollectionDataTest.HandlesAllNone (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesAtomnr 30: [ OK ] SelectionCollectionDataTest.HandlesAtomnr (4 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesResnr 30: [ OK ] SelectionCollectionDataTest.HandlesResnr (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesResIndex 30: [ OK ] SelectionCollectionDataTest.HandlesResIndex (2 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesMolIndex 30: [ OK ] SelectionCollectionDataTest.HandlesMolIndex (5 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesAtomname 30: [ OK ] SelectionCollectionDataTest.HandlesAtomname (2 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPdbAtomname 30: [ OK ] SelectionCollectionDataTest.HandlesPdbAtomname (3 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesAtomtype 30: [ OK ] SelectionCollectionDataTest.HandlesAtomtype (2 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesChain 30: [ OK ] SelectionCollectionDataTest.HandlesChain (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesMass 30: [ OK ] SelectionCollectionDataTest.HandlesMass (8 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesCharge 30: [ OK ] SelectionCollectionDataTest.HandlesCharge (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesAltLoc 30: [ OK ] SelectionCollectionDataTest.HandlesAltLoc (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesInsertCode 30: [ OK ] SelectionCollectionDataTest.HandlesInsertCode (2 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesOccupancy 30: [ OK ] SelectionCollectionDataTest.HandlesOccupancy (8 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesBeta 30: [ OK ] SelectionCollectionDataTest.HandlesBeta (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesResname 30: [ OK ] SelectionCollectionDataTest.HandlesResname (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesCoordinateKeywords 30: [ OK ] SelectionCollectionDataTest.HandlesCoordinateKeywords (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesSameResidue 30: [ OK ] SelectionCollectionDataTest.HandlesSameResidue (4 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesSameResidueName 30: [ OK ] SelectionCollectionDataTest.HandlesSameResidueName (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPositionKeywords 30: [ OK ] SelectionCollectionDataTest.HandlesPositionKeywords (2 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesDistanceKeyword 30: [ OK ] SelectionCollectionDataTest.HandlesDistanceKeyword (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesMinDistanceKeyword 30: [ OK ] SelectionCollectionDataTest.HandlesMinDistanceKeyword (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesWithinKeyword 30: [ OK ] SelectionCollectionDataTest.HandlesWithinKeyword (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword 30: [ OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (6 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPermuteModifier 30: [ OK ] SelectionCollectionDataTest.HandlesPermuteModifier (3 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPlusModifier 30: [ OK ] SelectionCollectionDataTest.HandlesPlusModifier (3 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesMergeModifier 30: [ OK ] SelectionCollectionDataTest.HandlesMergeModifier (2 ms) 30: [ RUN ] SelectionCollectionDataTest.ComputesMassesAndCharges 30: [ OK ] SelectionCollectionDataTest.ComputesMassesAndCharges (3 ms) 30: [ RUN ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology 30: [ OK ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology (8 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets 30: [ OK ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets (13 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesSelectionNames 30: [ OK ] SelectionCollectionDataTest.HandlesSelectionNames (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesIndexGroupsInSelections 30: [ OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelections (7 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed 30: [ OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed (2 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections 30: [ OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections (3 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed 30: [ OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed (2 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesConstantPositions 30: [ OK ] SelectionCollectionDataTest.HandlesConstantPositions (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers 30: [ OK ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesWithinConstantPositions 30: [ OK ] SelectionCollectionDataTest.HandlesWithinConstantPositions (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges 30: [ OK ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesOverlappingRealRanges 30: [ OK ] SelectionCollectionDataTest.HandlesOverlappingRealRanges (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode 30: [ OK ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesWildcardMatching 30: [ OK ] SelectionCollectionDataTest.HandlesWildcardMatching (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesRegexMatching 30: [ OK ] SelectionCollectionDataTest.HandlesRegexMatching (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesBasicBoolean 30: [ OK ] SelectionCollectionDataTest.HandlesBasicBoolean (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters 30: [ OK ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters (6 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions 30: [ OK ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame 30: [ OK ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords 30: [ OK ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods 30: [ OK ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesKeywordOfPositions 30: [ OK ] SelectionCollectionDataTest.HandlesKeywordOfPositions (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic 30: [ OK ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesNumericComparisons 30: [ OK ] SelectionCollectionDataTest.HandlesNumericComparisons (5 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesArithmeticExpressions 30: [ OK ] SelectionCollectionDataTest.HandlesArithmeticExpressions (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesNumericVariables 30: [ OK ] SelectionCollectionDataTest.HandlesNumericVariables (4 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesComplexNumericVariables 30: [ OK ] SelectionCollectionDataTest.HandlesComplexNumericVariables (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPositionVariables 30: [ OK ] SelectionCollectionDataTest.HandlesPositionVariables (4 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPositionVariableInModifier 30: [ OK ] SelectionCollectionDataTest.HandlesPositionVariableInModifier (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesConstantPositionInVariable 30: [ OK ] SelectionCollectionDataTest.HandlesConstantPositionInVariable (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables 30: [ OK ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables (2 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis 30: [ OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables 30: [ OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables 30: [ OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesUnusedVariables 30: [ OK ] SelectionCollectionDataTest.HandlesUnusedVariables (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups 30: [ OK ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups 30: [ OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 30: [ OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 (0 ms) 30: [----------] 66 tests from SelectionCollectionDataTest (152 ms total) 30: 30: [----------] 17 tests from SelectionOptionTest 30: [ RUN ] SelectionOptionTest.ParsesSimpleSelection 30: [ OK ] SelectionOptionTest.ParsesSimpleSelection (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired 30: [ OK ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired 30: [ OK ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired (0 ms) 30: [ RUN ] SelectionOptionTest.ChecksForSortedAtomsWhenRequired 30: [ OK ] SelectionOptionTest.ChecksForSortedAtomsWhenRequired (1 ms) 30: [ RUN ] SelectionOptionTest.ChecksEmptySelections 30: [ OK ] SelectionOptionTest.ChecksEmptySelections (0 ms) 30: [ RUN ] SelectionOptionTest.ChecksEmptyDelayedSelections 30: [ OK ] SelectionOptionTest.ChecksEmptyDelayedSelections (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesTooManySelections 30: [ OK ] SelectionOptionTest.HandlesTooManySelections (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesTooFewSelections 30: [ OK ] SelectionOptionTest.HandlesTooFewSelections (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesDefaultSelectionText 30: [ OK ] SelectionOptionTest.HandlesDefaultSelectionText (1 ms) 30: [ RUN ] SelectionOptionTest.HandlesAdjuster 30: [ OK ] SelectionOptionTest.HandlesAdjuster (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesDynamicWhenStaticRequiredWithAdjuster 30: [ OK ] SelectionOptionTest.HandlesDynamicWhenStaticRequiredWithAdjuster (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesTooManySelectionsWithAdjuster 30: [ OK ] SelectionOptionTest.HandlesTooManySelectionsWithAdjuster (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesTooFewSelectionsWithAdjuster 30: [ OK ] SelectionOptionTest.HandlesTooFewSelectionsWithAdjuster (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesDelayedRequiredSelection 30: [ OK ] SelectionOptionTest.HandlesDelayedRequiredSelection (1 ms) 30: [ RUN ] SelectionOptionTest.HandlesTooFewDelayedRequiredSelections 30: [ OK ] SelectionOptionTest.HandlesTooFewDelayedRequiredSelections (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesDelayedOptionalSelection 30: [ OK ] SelectionOptionTest.HandlesDelayedOptionalSelection (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster 30: [ OK ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster (0 ms) 30: [----------] 17 tests from SelectionOptionTest (4 ms total) 30: 30: [----------] 9 tests from SelectionFileOptionTest 30: [ RUN ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile 30: [ OK ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile (0 ms) 30: [ RUN ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions 30: [ OK ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions (1 ms) 30: [ RUN ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile 30: [ OK ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile (0 ms) 30: [ RUN ] SelectionFileOptionTest.HandlesRequiredOptionFromFile 30: [ OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFile (0 ms) 30: [ RUN ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet 30: [ OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet (0 ms) 30: [ RUN ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile 30: [ OK ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile (1 ms) 30: [ RUN ] SelectionFileOptionTest.GivesErrorWithNoFile 30: [ OK ] SelectionFileOptionTest.GivesErrorWithNoFile (0 ms) 30: [ RUN ] SelectionFileOptionTest.GivesErrorWithNonExistentFile 30: [ OK ] SelectionFileOptionTest.GivesErrorWithNonExistentFile (0 ms) 30: [ RUN ] SelectionFileOptionTest.GivesErrorWithMultipleFiles 30: [ OK ] SelectionFileOptionTest.GivesErrorWithMultipleFiles (0 ms) 30: [----------] 9 tests from SelectionFileOptionTest (2 ms total) 30: 30: [----------] Global test environment tear-down 30: [==========] 192 tests from 11 test cases ran. (389 ms total) 30: [ PASSED ] 192 tests. 30/30 Test #30: SelectionUnitTests ............... Passed 0.42 sec 100% tests passed, 0 tests failed out of 30 Label Time Summary: GTest = 5.18 sec*proc (30 tests) MpiTest = 0.35 sec*proc (3 tests) UnitTest = 5.18 sec*proc (30 tests) Total Test time (real) = 5.59 sec touch build-mpich dh_testdir /usr/bin/make -j4 -C build/openmpi make[1]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/CMakeFiles /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi//CMakeFiles/progress.marks /usr/bin/make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/CMakeFiles/release-version-info.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color= Scanning dependencies of target lmfit_objlib make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build Scanning dependencies of target release-version-info make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit/lmmin.cpp make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/gromacs-lj8Hdg/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake Scanning dependencies of target thread_mpi make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp Scanning dependencies of target scanner make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parser.cpp [ 0%] Built target release-version-info cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/lock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/pthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/system_error.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 1%] Built target thread_mpi /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color= Scanning dependencies of target tng_io_obj make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/coder.c make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 1%] Built target lmfit_objlib /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/dict.c Scanning dependencies of target linearalgebra make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffman.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/merge_sort.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/mtf.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/rle.c /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color= Scanning dependencies of target modularsimulator make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/tng_compress.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 1%] Built target scanner cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/vals16.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/warnmalloc.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/widemuldiv.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc2.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 1%] Built target linearalgebra /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun_objlib make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/programs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/mdrun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/programs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/md5.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 2%] Built target mdrun_objlib cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/shellfcelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/signallers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/signallers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/statepropagatordata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/topologyholder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/topologyholder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/trajectoryelement.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 5%] Built target tng_io_obj cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/vrescalethermostat.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 8%] Built target modularsimulator /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/cmake -D VERSION_VARIABLES=/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/VersionInfo.cmake -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion-gen.cpp.cmakein -D VERSION_OUT=utility/baseversion-gen.cpp -D GMX_SOURCE_DOI= -D GMX_RELEASE_HASH= -D GMX_SOURCE_HASH= -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxConfigureVersionInfo.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/cmake -E touch utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color= Scanning dependencies of target libgromacs make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/alignedallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/any.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/any.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/basenetwork.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/binaryinformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/coolstuff.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/cstringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/datafilefinder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/directoryenumerator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorcodes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/exceptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fatalerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fileredirector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/filestream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/futil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/futil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxassert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxomp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/ikeyvaluetreeerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/init.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/init.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/inmemoryserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/int64_to_int.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreemdpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreeserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreetransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/logger.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/logger.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/loggerbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/messagestringcollector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/mpiinplacebuffers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/niceheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/path.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/path.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/physicalnodecommunicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/pleasecite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/programcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/smalloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strconvert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strdb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringstream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/sysinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/txtdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/atomdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_system.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/gridset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernel_common.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_gpu_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_geometry.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist_tuning.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/prunekerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineinit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineoptionsmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineprogramcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/filenm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/pargs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/shellcompletions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/viewit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/atomdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/box.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/box.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/cellsizes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/collect.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/distribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlbtiming.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_constraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_specatomcomm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/ga2la.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/gpuhaloexchange_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/mdsetup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/partition.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/utility.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/3dtransforms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/coordinatetransformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfittingforce.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/do_fit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/exponentialmovingaverage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/functions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/functions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/gausstransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/invertmatrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/units.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/units.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/veccompare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/vecdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/df_history.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/group.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/iforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-class-memaccess -o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/inputrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/md_enums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/observableshistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helptopic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpwritercontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/rstparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/boxutilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/mshift.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc_simd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcenums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcmethods.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/rmpbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/random/seed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/seed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tabulatednormaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/cubicsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/forcetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/quadraticsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/splineutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/cyclecounter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/wallcycle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/walltime_accounting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomprop.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomsbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/block.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/block.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/exclusionblocks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/forcefieldparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/idef.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/idef.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/ifunc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/index.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/index.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/invblock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/mtop_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/residuetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/symtab.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topsort.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/swap/swapcoords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/essentialdynamics/edsam.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/output.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/output.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull_rotation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pullutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/awh.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/awh.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/bias.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/bias.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biassharing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biaswriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/coordstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationhistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationtensor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/histogramsize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/pointstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/read_params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/simd/support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/support.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imdsocket.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/conformation_utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nrnb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/boxdeformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/broadcaststructs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calc_verletbuf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcmu.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcvir.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/checkpointhandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/compute_io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constraintrange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/coupling.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/dispersioncorrection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/ebin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/enerdata_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/energyoutput.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/force.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/gmx_omp_nthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/groupcoord.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/lincs.cpp /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp: In function ‘void __static_initialization_and_destruction_0(int, int)’: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp:103:16: warning: ignoring return value of ‘char* getenv(const char*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 103 | (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~ cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/md_support.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdatoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdebin_bar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdoutf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/membed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/nsgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/perf_est.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gamess.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gaussian.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_mopac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_orca.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qmmm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rbin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/resethandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rf_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/settle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/shake.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sighandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sim_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/simulationsignal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/splitter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stophandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tgroup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/trajectory_writing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update_constrain_cuda_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroups.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroupscog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vcm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/wall.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfitting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingamplitudelookup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoutputprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/electricfield.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/bonded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/disre.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/gpubonded_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_forces.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/manage_threading.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/orires.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/pairs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/position_restraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/restcbt.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/calculate_spline_moduli.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/long_range_correction.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gather.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_load_balancing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp: In function ‘void __static_initialization_and_destruction_0(int, int)’: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp:104:16: warning: ignoring return value of ‘char* getenv(const char*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 104 | (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~ cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_solve.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spline_work.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spread.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp_comm_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_force_sender_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/calcgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft5d.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/parallel_3dfft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft_fftw3.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/clfftinitializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/hostallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_testutils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/cpuinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/detecthardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/gpu_hw_info.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/hardwaretopology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/printhardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/identifyavx512fmaunits.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacymdrunoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacysimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/md.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mdmodules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mimic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/minimize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/replicaexchange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/rerun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/runner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/shellfc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/simulationcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/tpi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/handlerestart.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/logging.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/multisim.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/printtime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/threadaffinity.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/basicoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/behaviorcollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/options.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/options.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsassigner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsvisitor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/timeunitmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/treesupport.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/manager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/restraintmdmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidegpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidesimulationworkload.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/findallgputasks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/reportgpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/resourcedivision.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/taskassignment.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/usergpuids.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/energyframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/trajectoryframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/communicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/checkpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/confio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/enxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/espio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/filetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/g96io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmx_internal_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/groio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/libxdrf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/matio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/md5.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymapheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mtxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/oenv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/pdbio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/readinp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/timecontrol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tngio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tpxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trrio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/vmdio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/warninp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/writeps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xdrd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xtcio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xvgr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/centerofmass.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/compiler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/evaluate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/indexutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/mempool.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/nbsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parsetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/poscalc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectioncollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionbehavior.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selelem.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selhelp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selmethod.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selvalue.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_distance.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_insolidangle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_keywords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_merge.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_permute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_same.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_simple.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/symrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/cmake -P CMakeFiles/libgromacs.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgromacs.dir/link.txt --verbose=1 /usr/bin/ar qc ../../lib/libgromacs_mdrun_mpi.openmpi.a CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o CMakeFiles/libgromacs.dir/utility/any.cpp.o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o CMakeFiles/libgromacs.dir/utility/compare.cpp.o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o CMakeFiles/libgromacs.dir/utility/futil.cpp.o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o CMakeFiles/libgromacs.dir/utility/init.cpp.o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o CMakeFiles/libgromacs.dir/utility/logger.cpp.o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o CMakeFiles/libgromacs.dir/utility/path.cpp.o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o CMakeFiles/libgromacs.dir/domdec/box.cpp.o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o CMakeFiles/libgromacs.dir/math/functions.cpp.o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o CMakeFiles/libgromacs.dir/math/units.cpp.o CMakeFiles/libgromacs.dir/math/utilities.cpp.o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o CMakeFiles/libgromacs.dir/random/seed.cpp.o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o CMakeFiles/libgromacs.dir/topology/block.cpp.o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o CMakeFiles/libgromacs.dir/topology/idef.cpp.o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o CMakeFiles/libgromacs.dir/topology/index.cpp.o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o CMakeFiles/libgromacs.dir/topology/topology.cpp.o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o CMakeFiles/libgromacs.dir/pulling/output.cpp.o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o CMakeFiles/libgromacs.dir/awh/awh.cpp.o CMakeFiles/libgromacs.dir/awh/bias.cpp.o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o CMakeFiles/libgromacs.dir/awh/grid.cpp.o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o CMakeFiles/libgromacs.dir/simd/support.cpp.o CMakeFiles/libgromacs.dir/imd/imd.cpp.o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o CMakeFiles/libgromacs.dir/fft/fft.cpp.o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o CMakeFiles/libgromacs.dir/options/options.cpp.o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o CMakeFiles/libgromacs.dir/selection/params.cpp.o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o CMakeFiles/libgromacs.dir/selection/position.cpp.o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o CMakeFiles/libgromacs.dir/selection/selection.cpp.o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/matrix.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/nrjac.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/constraintelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/domdechelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/energyelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/forceelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/propagator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/signallers.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/topologyholder.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o selection/CMakeFiles/scanner.dir/parser.cpp.o selection/CMakeFiles/scanner.dir/scanner.cpp.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o /usr/bin/ranlib ../../lib/libgromacs_mdrun_mpi.openmpi.a make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [100%] Built target libgromacs /usr/bin/make -f src/programs/CMakeFiles/mdrun.dir/build.make src/programs/CMakeFiles/mdrun.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/programs/CMakeFiles/mdrun.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/programs/CMakeFiles/mdrun.dir/build.make src/programs/CMakeFiles/mdrun.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/programs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun.dir/mdrun_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/programs && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun.dir/mdrun_main.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../bin/mdrun_mpi.openmpi ../../lib/libgromacs_mdrun_mpi.openmpi.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [100%] Built target mdrun make[2]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/CMakeFiles 0 make[1]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -j4 -C build/openmpi-dp make[1]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/CMakeFiles /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp//CMakeFiles/progress.marks /usr/bin/make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/CMakeFiles/release-version-info.dir/DependInfo.cmake --color= make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color= Scanning dependencies of target lmfit_objlib make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit/lmmin.cpp make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color= Scanning dependencies of target thread_mpi make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp Scanning dependencies of target release-version-info make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/gromacs-lj8Hdg/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake Scanning dependencies of target scanner make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/selection && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parser.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' [ 0%] Built target release-version-info cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/selection && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/lock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/pthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/system_error.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' [ 1%] Built target thread_mpi /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color= Scanning dependencies of target tng_io_obj make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' [ 1%] Built target lmfit_objlib /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color= Scanning dependencies of target linearalgebra make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color= Scanning dependencies of target modularsimulator make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/coder.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/dict.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffman.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/merge_sort.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/mtf.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/rle.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/tng_compress.c make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' [ 1%] Built target scanner /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun_objlib make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/programs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/mdrun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/programs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/linearalgebra && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/vals16.c make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' [ 1%] Built target linearalgebra cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/warnmalloc.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/widemuldiv.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc2.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' [ 2%] Built target mdrun_objlib cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/shellfcelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/signallers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/signallers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/statepropagatordata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/topologyholder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/topologyholder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicc.openmpi -DGMX_DOUBLE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/md5.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/trajectoryelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/modularsimulator && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -fopenmp -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/vrescalethermostat.cpp make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' [ 5%] Built target tng_io_obj make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' [ 8%] Built target modularsimulator /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/cmake -D VERSION_VARIABLES=/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/VersionInfo.cmake -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion-gen.cpp.cmakein -D VERSION_OUT=utility/baseversion-gen.cpp -D GMX_SOURCE_DOI= -D GMX_RELEASE_HASH= -D GMX_SOURCE_HASH= -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxConfigureVersionInfo.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/cmake -E touch utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color= Scanning dependencies of target libgromacs make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/alignedallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/any.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/any.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/basenetwork.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/binaryinformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/coolstuff.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/cstringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/datafilefinder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/directoryenumerator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorcodes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/exceptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fatalerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fileredirector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/filestream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/futil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/futil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxassert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxomp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/ikeyvaluetreeerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/init.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/init.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/inmemoryserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/int64_to_int.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreemdpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreeserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreetransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/logger.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/logger.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/loggerbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/messagestringcollector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/mpiinplacebuffers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/niceheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/path.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/path.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/physicalnodecommunicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/pleasecite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/programcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/smalloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strconvert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strdb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringstream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/sysinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/txtdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/atomdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_system.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/gridset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernel_common.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_gpu_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_geometry.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist_tuning.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/prunekerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineinit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineoptionsmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineprogramcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/filenm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/pargs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/shellcompletions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/viewit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/atomdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/box.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/box.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/cellsizes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/collect.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/distribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlbtiming.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_constraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_specatomcomm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/ga2la.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/gpuhaloexchange_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/mdsetup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/partition.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/utility.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/3dtransforms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/coordinatetransformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfittingforce.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/do_fit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/exponentialmovingaverage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/functions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/functions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/gausstransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/invertmatrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/units.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/units.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/veccompare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/vecdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/df_history.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/group.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/iforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-class-memaccess -o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/inputrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/md_enums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/observableshistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helptopic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpwritercontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/rstparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/boxutilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/mshift.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc_simd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcenums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcmethods.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/rmpbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/random/seed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/seed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tabulatednormaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/cubicsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/forcetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/quadraticsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/splineutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/cyclecounter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/wallcycle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/walltime_accounting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomprop.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomsbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/block.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/block.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/exclusionblocks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/forcefieldparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/idef.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/idef.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/ifunc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/index.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/index.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/invblock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/mtop_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/residuetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/symtab.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topsort.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/swap/swapcoords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/essentialdynamics/edsam.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/output.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/output.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull_rotation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pullutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/awh.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/awh.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/bias.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/bias.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biassharing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biaswriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/coordstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationhistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationtensor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/histogramsize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/pointstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/read_params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/simd/support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/support.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imdsocket.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/conformation_utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nrnb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/boxdeformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/broadcaststructs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calc_verletbuf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcmu.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcvir.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/checkpointhandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/compute_io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constraintrange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/coupling.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/dispersioncorrection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/ebin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/enerdata_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/energyoutput.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/force.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp: In function ‘void __static_initialization_and_destruction_0(int, int)’: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp:103:16: warning: ignoring return value of ‘char* getenv(const char*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 103 | (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~ cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/gmx_omp_nthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/groupcoord.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/lincs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/md_support.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdatoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdebin_bar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdoutf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/membed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/nsgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/perf_est.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gamess.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gaussian.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_mopac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_orca.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qmmm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rbin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/resethandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rf_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/settle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/shake.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sighandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sim_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/simulationsignal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/splitter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stophandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tgroup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/trajectory_writing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update_constrain_cuda_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroups.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroupscog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vcm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/wall.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfitting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingamplitudelookup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoutputprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/electricfield.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/bonded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/disre.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/gpubonded_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_forces.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/manage_threading.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/orires.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/pairs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/position_restraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/restcbt.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/calculate_spline_moduli.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/long_range_correction.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gather.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_load_balancing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp.cpp /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp: In function ‘void __static_initialization_and_destruction_0(int, int)’: /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp:104:16: warning: ignoring return value of ‘char* getenv(const char*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 104 | (getenv("GMX_GPU_PME_PP_COMMS") != nullptr) && GMX_THREAD_MPI && (GMX_GPU == GMX_GPU_CUDA); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~ cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_solve.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spline_work.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spread.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp_comm_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_force_sender_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/calcgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft5d.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/parallel_3dfft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft_fftw3.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/clfftinitializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/hostallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_testutils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/cpuinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/detecthardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/gpu_hw_info.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/hardwaretopology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/printhardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/identifyavx512fmaunits.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacymdrunoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacysimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/md.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mdmodules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mimic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/minimize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/replicaexchange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/rerun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/runner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/shellfc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/simulationcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/tpi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/handlerestart.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/logging.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/multisim.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/printtime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/threadaffinity.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/basicoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/behaviorcollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/options.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/options.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsassigner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsvisitor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/timeunitmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/treesupport.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/manager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/restraintmdmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidegpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidesimulationworkload.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/findallgputasks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/reportgpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/resourcedivision.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/taskassignment.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/usergpuids.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/energyframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/trajectoryframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/communicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs/utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/checkpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/confio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/enxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/espio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/filetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/g96io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmx_internal_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/groio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/libxdrf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/matio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/md5.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymapheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mtxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/oenv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/pdbio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/readinp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/timecontrol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tngio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tpxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trrio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/vmdio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/warninp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/writeps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xdrd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xtcio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xvgr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/centerofmass.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/compiler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/evaluate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/indexutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/mempool.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/nbsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parsetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/poscalc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectioncollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionbehavior.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selelem.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selhelp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selmethod.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selvalue.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_distance.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_insolidangle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_keywords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_merge.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_permute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_same.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_simple.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/symrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/cmake -P CMakeFiles/libgromacs.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/gromacs && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgromacs.dir/link.txt --verbose=1 /usr/bin/ar qc ../../lib/libgromacs_mdrun_mpi_d.openmpi.a CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o CMakeFiles/libgromacs.dir/utility/any.cpp.o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o CMakeFiles/libgromacs.dir/utility/compare.cpp.o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o CMakeFiles/libgromacs.dir/utility/futil.cpp.o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o CMakeFiles/libgromacs.dir/utility/init.cpp.o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o CMakeFiles/libgromacs.dir/utility/logger.cpp.o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o CMakeFiles/libgromacs.dir/utility/path.cpp.o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o CMakeFiles/libgromacs.dir/domdec/box.cpp.o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o CMakeFiles/libgromacs.dir/math/functions.cpp.o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o CMakeFiles/libgromacs.dir/math/units.cpp.o CMakeFiles/libgromacs.dir/math/utilities.cpp.o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o CMakeFiles/libgromacs.dir/random/seed.cpp.o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o CMakeFiles/libgromacs.dir/topology/block.cpp.o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o CMakeFiles/libgromacs.dir/topology/idef.cpp.o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o CMakeFiles/libgromacs.dir/topology/index.cpp.o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o CMakeFiles/libgromacs.dir/topology/topology.cpp.o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o CMakeFiles/libgromacs.dir/pulling/output.cpp.o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o CMakeFiles/libgromacs.dir/awh/awh.cpp.o CMakeFiles/libgromacs.dir/awh/bias.cpp.o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o CMakeFiles/libgromacs.dir/awh/grid.cpp.o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o CMakeFiles/libgromacs.dir/simd/support.cpp.o CMakeFiles/libgromacs.dir/imd/imd.cpp.o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o CMakeFiles/libgromacs.dir/fft/fft.cpp.o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o CMakeFiles/libgromacs.dir/options/options.cpp.o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o CMakeFiles/libgromacs.dir/selection/params.cpp.o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o CMakeFiles/libgromacs.dir/selection/position.cpp.o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o CMakeFiles/libgromacs.dir/selection/selection.cpp.o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/matrix.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/nrjac.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/constraintelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/domdechelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/energyelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/forceelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/propagator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/signallers.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/topologyholder.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o selection/CMakeFiles/scanner.dir/parser.cpp.o selection/CMakeFiles/scanner.dir/scanner.cpp.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o /usr/bin/ranlib ../../lib/libgromacs_mdrun_mpi_d.openmpi.a make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' [100%] Built target libgromacs /usr/bin/make -f src/programs/CMakeFiles/mdrun.dir/build.make src/programs/CMakeFiles/mdrun.dir/depend make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/programs/CMakeFiles/mdrun.dir/DependInfo.cmake --color= Scanning dependencies of target mdrun make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' /usr/bin/make -f src/programs/CMakeFiles/mdrun.dir/build.make src/programs/CMakeFiles/mdrun.dir/build make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/programs && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=1 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrun.dir/mdrun_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/src/programs && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrun.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrun.dir/mdrun_main.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -o ../../bin/mdrun_mpi_d.openmpi ../../lib/libgromacs_mdrun_mpi_d.openmpi.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' [100%] Built target mdrun make[2]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp/CMakeFiles 0 make[1]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi-dp' sed -e 's/#MPIABBR#/openmpi/g' -e 's/#MPIPROG#/OpenMPI/g' \ < debian/gromacs-parallel.README.Debian.in \ > debian/gromacs-openmpi.README.Debian # rsh_agent: https://bugs.debian.org/494046 # oversubscribe: https://bugs.debian.org/850229#51 /usr/bin/make -j4 -C build/openmpi tests make[1]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/make -f CMakeFiles/Makefile2 tests make[2]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/CMakeFiles 96 /usr/bin/make -f CMakeFiles/Makefile2 CMakeFiles/tests.dir/all make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/CMakeFiles/release-version-info.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[4]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color= /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/gromacs-lj8Hdg/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color= [ 0%] Built target scanner make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/lmfit_objlib.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color= [ 0%] Built target lmfit_objlib make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/thread_mpi.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 0%] Built target release-version-info /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color= [ 1%] Built target thread_mpi make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build /usr/bin/make -f src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build.make src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/tng_io_obj.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[4]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 3%] Built target tng_io_obj [ 5%] Built target modularsimulator make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/external/googletest/googlemock/gtest /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[4]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 5%] Built target linearalgebra /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend Scanning dependencies of target gtest make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build.make src/external/googletest/googlemock/gtest/CMakeFiles/gtest.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/external/googletest/googlemock/gtest && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wshadow -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=c++14 -o CMakeFiles/gtest.dir/src/gtest-all.cc.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/src/gtest-all.cc make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/libgromacs.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 72%] Built target libgromacs cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/external/googletest/googlemock/gtest && /usr/bin/cmake -P CMakeFiles/gtest.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/external/googletest/googlemock/gtest && /usr/bin/cmake -E cmake_link_script CMakeFiles/gtest.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../../lib/libgtest.a CMakeFiles/gtest.dir/src/gtest-all.cc.o /usr/bin/ranlib ../../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 72%] Built target gtest /usr/bin/make -f src/external/googletest/googlemock/CMakeFiles/gmock.dir/build.make src/external/googletest/googlemock/CMakeFiles/gmock.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/external/googletest/googlemock /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/external/googletest/googlemock/CMakeFiles/gmock.dir/DependInfo.cmake --color= Scanning dependencies of target gmock make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/external/googletest/googlemock/CMakeFiles/gmock.dir/build.make src/external/googletest/googlemock/CMakeFiles/gmock.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/external/googletest/googlemock && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DGTEST_CAN_STREAM_RESULTS=0 -D_GNU_SOURCE=1 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wshadow -DGTEST_HAS_PTHREAD=1 -fexceptions -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -Wno-deprecated-copy -std=c++14 -o CMakeFiles/gmock.dir/src/gmock-all.cc.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/src/gmock-all.cc cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/external/googletest/googlemock && /usr/bin/cmake -P CMakeFiles/gmock.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/external/googletest/googlemock && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmock.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libgmock.a CMakeFiles/gmock.dir/src/gmock-all.cc.o /usr/bin/ranlib ../../../../lib/libgmock.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 73%] Built target gmock /usr/bin/make -f src/testutils/CMakeFiles/testutils.dir/build.make src/testutils/CMakeFiles/testutils.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/CMakeFiles/testutils.dir/DependInfo.cmake --color= Scanning dependencies of target testutils make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/testutils/CMakeFiles/testutils.dir/build.make src/testutils/CMakeFiles/testutils.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/cmdlinetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/cmdlinetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/conftest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/conftest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/filematchers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/filematchers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/interactivetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/interactivetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/loggertest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/loggertest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/mpi_printer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/mpi_printer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/mpitest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/mpitest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/refdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/refdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/refdata_xml.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/refdata_xml.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/simulationdatabase.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/simulationdatabase.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/stdiohelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/stdiohelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/stringtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/stringtest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testasserts.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testasserts.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testfilemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testfilemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testfileredirector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testfileredirector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testinit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testinit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testmatchers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testmatchers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/testoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/testoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/textblockmatchers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/textblockmatchers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/tprfilegenerator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tprfilegenerator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/xvgtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/xvgtest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils.dir/__/external/tinyxml2/tinyxml2.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tinyxml2/tinyxml2.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/cmake -P CMakeFiles/testutils.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils.dir/link.txt --verbose=1 /usr/bin/ar qc ../../lib/libtestutils.a CMakeFiles/testutils.dir/cmdlinetest.cpp.o CMakeFiles/testutils.dir/conftest.cpp.o CMakeFiles/testutils.dir/filematchers.cpp.o CMakeFiles/testutils.dir/interactivetest.cpp.o CMakeFiles/testutils.dir/loggertest.cpp.o CMakeFiles/testutils.dir/mpi_printer.cpp.o CMakeFiles/testutils.dir/mpitest.cpp.o CMakeFiles/testutils.dir/refdata.cpp.o CMakeFiles/testutils.dir/refdata_xml.cpp.o CMakeFiles/testutils.dir/simulationdatabase.cpp.o CMakeFiles/testutils.dir/stdiohelper.cpp.o CMakeFiles/testutils.dir/stringtest.cpp.o CMakeFiles/testutils.dir/testasserts.cpp.o CMakeFiles/testutils.dir/testfilemanager.cpp.o CMakeFiles/testutils.dir/testfileredirector.cpp.o CMakeFiles/testutils.dir/testinit.cpp.o CMakeFiles/testutils.dir/testmatchers.cpp.o CMakeFiles/testutils.dir/testoptions.cpp.o CMakeFiles/testutils.dir/textblockmatchers.cpp.o CMakeFiles/testutils.dir/tprfilegenerator.cpp.o CMakeFiles/testutils.dir/xvgtest.cpp.o CMakeFiles/testutils.dir/__/external/tinyxml2/tinyxml2.cpp.o /usr/bin/ranlib ../../lib/libtestutils.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 76%] Built target testutils /usr/bin/make -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/depend /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/depend /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/depend /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests/CMakeFiles/testutils-test.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/CMakeFiles/selection-test.dir/DependInfo.cmake --color= Scanning dependencies of target utility-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator_mpi.cpp Scanning dependencies of target testutils-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/mpitest.cpp Scanning dependencies of target testutils-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/testutils/tests/CMakeFiles/testutils-test.dir/build.make src/testutils/tests/CMakeFiles/testutils-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/interactivetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/interactivetest.cpp Scanning dependencies of target selection-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build.make src/gromacs/selection/tests/CMakeFiles/selection-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/indexutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/indexutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-mpi-test.dir/link.txt --verbose=1 cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-mpi-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-mpi-test.dir/mpitest.cpp.o CMakeFiles/testutils-mpi-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-mpi-test ../../../lib/libtestutils.a ../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../lib/libgtest.a /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-mpi-test.dir/physicalnodecommunicator_mpi.cpp.o CMakeFiles/utility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-mpi-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/refdata_tests.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 77%] Built target testutils-mpi-test /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/CMakeFiles/utility-test.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 77%] Built target utility-mpi-test /usr/bin/make -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/depend Scanning dependencies of target utility-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build.make src/gromacs/utility/tests/CMakeFiles/utility-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/alignedallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/alignedallocator.cpp make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdlib-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build.make src/gromacs/mdlib/tests/CMakeFiles/mdlib-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/calc_verletbuf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/constr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/nbsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/nbsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/testasserts_tests.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/arrayref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/arrayref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/poscalc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/poscalc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/tests/xvgtest_tests.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/testutils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/../external/tinyxml2 -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/constrtestrunners.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectioncollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/selectioncollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/testutils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/testutils-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/testutils-test.dir/interactivetest.cpp.o CMakeFiles/testutils-test.dir/refdata_tests.cpp.o CMakeFiles/testutils-test.dir/testasserts_tests.cpp.o CMakeFiles/testutils-test.dir/xvgtest_tests.cpp.o CMakeFiles/testutils-test.dir/__/unittest_main.cpp.o -o ../../../bin/testutils-test ../../../lib/libtestutils.a ../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 77%] Built target testutils-test /usr/bin/make -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/DependInfo.cmake --color= Scanning dependencies of target applied_forces-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build.make src/gromacs/applied_forces/tests/CMakeFiles/applied_forces-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfitting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/ebin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/ebin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/energyoutput.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/expanded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/expanded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/densityfittingamplitudelookup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/selectionoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/selectionoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/tests/electricfield.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/applied_forces/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/applied_forces/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/applied_forces-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/applied_forces-test.dir/densityfitting.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingoptions.cpp.o CMakeFiles/applied_forces-test.dir/densityfittingamplitudelookup.cpp.o CMakeFiles/applied_forces-test.dir/electricfield.cpp.o CMakeFiles/applied_forces-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/applied_forces-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestdata.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 77%] Built target applied_forces-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/toputils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/tests/toputils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/leapfrogtestrunners.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/selection/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/settle.cpp /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/DependInfo.cmake --color= Scanning dependencies of target onlinehelp-test-shared make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test-shared.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/mock_helptopic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/cmake -P CMakeFiles/onlinehelp-test-shared.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test-shared.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libonlinehelp-test-shared.a CMakeFiles/onlinehelp-test-shared.dir/mock_helptopic.cpp.o /usr/bin/ranlib ../../../../lib/libonlinehelp-test-shared.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 77%] Built target onlinehelp-test-shared cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask32.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/bitmask32.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/selection/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/selection-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/selection-test.dir/indexutil.cpp.o CMakeFiles/selection-test.dir/nbsearch.cpp.o CMakeFiles/selection-test.dir/poscalc.cpp.o CMakeFiles/selection-test.dir/selectioncollection.cpp.o CMakeFiles/selection-test.dir/selectionoption.cpp.o CMakeFiles/selection-test.dir/toputils.cpp.o CMakeFiles/selection-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/selection-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/settletestdata.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 78%] Built target selection-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask64.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/bitmask64.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/settletestrunners.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/shake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/shake.cpp /usr/bin/make -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/DependInfo.cmake --color= Scanning dependencies of target domdec-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build.make src/gromacs/domdec/tests/CMakeFiles/domdec-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/hashedmap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/tests/hashedmap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/bitmask128.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/bitmask128.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/simulationsignal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/cstringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/cstringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/tests/localatomsetmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/domdec/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroups.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/updategroups.cpp /usr/bin/make -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/DependInfo.cmake --color= Scanning dependencies of target ewald-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build.make src/gromacs/ewald/tests/CMakeFiles/ewald-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmebsplinetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/defaultinitializationallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/domdec/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/domdec-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/domdec-test.dir/hashedmap.cpp.o CMakeFiles/domdec-test.dir/localatomsetmanager.cpp.o CMakeFiles/domdec-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/domdec-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 78%] Built target domdec-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/enumerationhelpers.cpp /usr/bin/make -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests/CMakeFiles/fft-test.dir/DependInfo.cmake --color= Scanning dependencies of target fft-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build.make src/gromacs/fft/tests/CMakeFiles/fft-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/fft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/tests/fft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tests/updategroupscog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/fixedcapacityvector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmegathertest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fft/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdlib/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/inmemoryserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fft/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fft-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/fft-test.dir/fft.cpp.o CMakeFiles/fft-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fft-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 78%] Built target fft-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmesolvetest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlib-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/mdlib-test.dir/calc_verletbuf.cpp.o CMakeFiles/mdlib-test.dir/constr.cpp.o CMakeFiles/mdlib-test.dir/constrtestdata.cpp.o CMakeFiles/mdlib-test.dir/constrtestrunners.cpp.o CMakeFiles/mdlib-test.dir/ebin.cpp.o CMakeFiles/mdlib-test.dir/energyoutput.cpp.o CMakeFiles/mdlib-test.dir/expanded.cpp.o CMakeFiles/mdlib-test.dir/leapfrog.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestdata.cpp.o CMakeFiles/mdlib-test.dir/leapfrogtestrunners.cpp.o CMakeFiles/mdlib-test.dir/settle.cpp.o CMakeFiles/mdlib-test.dir/settletestdata.cpp.o CMakeFiles/mdlib-test.dir/settletestrunners.cpp.o CMakeFiles/mdlib-test.dir/shake.cpp.o CMakeFiles/mdlib-test.dir/simulationsignal.cpp.o CMakeFiles/mdlib-test.dir/updategroups.cpp.o CMakeFiles/mdlib-test.dir/updategroupscog.cpp.o CMakeFiles/mdlib-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdlib-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreeserializer.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 80%] Built target mdlib-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/keyvaluetreetransform.cpp /usr/bin/make -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/DependInfo.cmake --color= Scanning dependencies of target gpu_utils-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build.make src/gromacs/gpu_utils/tests/CMakeFiles/gpu_utils-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/gputest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/gputest.cpp /usr/bin/make -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/clfftinitializer.cpp Scanning dependencies of target hardware-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build.make src/gromacs/hardware/tests/CMakeFiles/hardware-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/tests/hardwaretopology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmesplinespreadtest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/hostallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/logger.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/logger.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/mutex.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/mutex.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/hardware/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/hardware/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/hardware-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/hardware-test.dir/hardwaretopology.cpp.o CMakeFiles/hardware-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/hardware-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 80%] Built target hardware-test /usr/bin/make -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/CMakeFiles/math-test.dir/DependInfo.cmake --color= Scanning dependencies of target math-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/math/tests/CMakeFiles/math-test.dir/build.make src/gromacs/math/tests/CMakeFiles/math-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/arrayrefwithpadding.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/pmetestcommon.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/path.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/path.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/tests/testhardwarecontexts.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/physicalnodecommunicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/ewald/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests/Testing/Temporary\" -DTEST_USES_HARDWARE_DETECTION=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/stringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/stringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/coordinatetransformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/ewald/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/ewald-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/ewald-test.dir/pmebsplinetest.cpp.o CMakeFiles/ewald-test.dir/pmegathertest.cpp.o CMakeFiles/ewald-test.dir/pmesolvetest.cpp.o CMakeFiles/ewald-test.dir/pmesplinespreadtest.cpp.o CMakeFiles/ewald-test.dir/pmetestcommon.cpp.o CMakeFiles/ewald-test.dir/testhardwarecontexts.cpp.o CMakeFiles/ewald-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/ewald-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 81%] Built target ewald-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/textreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/tests/devicetransfers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/gpu_utils/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/gpu_utils/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/gpu_utils-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/gpu_utils-test.dir/gputest.cpp.o CMakeFiles/gpu_utils-test.dir/clfftinitializer.cpp.o CMakeFiles/gpu_utils-test.dir/hostallocator.cpp.o CMakeFiles/gpu_utils-test.dir/devicetransfers.cpp.o CMakeFiles/gpu_utils-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/gpu_utils-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/densityfit.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 81%] Built target gpu_utils-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/textwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/textwriter.cpp /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/DependInfo.cmake --color= Scanning dependencies of target mdrunutility-test-shared make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test-shared.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -std=c++14 -o CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinitytest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/typetraits.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/tests/typetraits.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/dofit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/dofit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/utility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/utility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/utility-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/utility-test.dir/alignedallocator.cpp.o CMakeFiles/utility-test.dir/arrayref.cpp.o CMakeFiles/utility-test.dir/bitmask32.cpp.o CMakeFiles/utility-test.dir/bitmask64.cpp.o CMakeFiles/utility-test.dir/bitmask128.cpp.o CMakeFiles/utility-test.dir/cstringutil.cpp.o CMakeFiles/utility-test.dir/defaultinitializationallocator.cpp.o CMakeFiles/utility-test.dir/enumerationhelpers.cpp.o CMakeFiles/utility-test.dir/fixedcapacityvector.cpp.o CMakeFiles/utility-test.dir/inmemoryserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreeserializer.cpp.o CMakeFiles/utility-test.dir/keyvaluetreetransform.cpp.o CMakeFiles/utility-test.dir/logger.cpp.o CMakeFiles/utility-test.dir/mutex.cpp.o CMakeFiles/utility-test.dir/path.cpp.o CMakeFiles/utility-test.dir/physicalnodecommunicator.cpp.o CMakeFiles/utility-test.dir/stringutil.cpp.o CMakeFiles/utility-test.dir/textreader.cpp.o CMakeFiles/utility-test.dir/textwriter.cpp.o CMakeFiles/utility-test.dir/typetraits.cpp.o CMakeFiles/utility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/utility-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a /usr/bin/make -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdspan-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build.make src/gromacs/mdspan/tests/CMakeFiles/mdspan-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/accessor_policy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/cmake -P CMakeFiles/mdrunutility-test-shared.dir/cmake_clean_target.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/exponentialmovingaverage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test-shared.dir/link.txt --verbose=1 /usr/bin/ar qc ../../../../lib/libmdrunutility-test-shared.a CMakeFiles/mdrunutility-test-shared.dir/threadaffinitytest.cpp.o /usr/bin/ranlib ../../../../lib/libmdrunutility-test-shared.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 82%] Built target mdrunutility-test-shared cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/functions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/functions.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 85%] Built target utility-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/gausstransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/gausstransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extents.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/extents.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/extensions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/extensions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/densityfittingforce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/densityfittingforce.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/invertmatrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/invertmatrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/layouts.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/layouts.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/matrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/matrix.cpp /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/DependInfo.cmake --color= Scanning dependencies of target onlinehelp-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build.make src/gromacs/onlinehelp/tests/CMakeFiles/onlinehelp-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/mdspan.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdspan/tests/mdspan.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/tests/helpwritercontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/multidimarray.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/multidimarray.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/paddedvector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/paddedvector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/onlinehelp/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/onlinehelp/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/onlinehelp-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/onlinehelp-test.dir/helpformat.cpp.o CMakeFiles/onlinehelp-test.dir/helpmanager.cpp.o CMakeFiles/onlinehelp-test.dir/helpwritercontext.cpp.o CMakeFiles/onlinehelp-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/onlinehelp-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 86%] Built target onlinehelp-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdspan/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/CMakeFiles/options-test.dir/DependInfo.cmake --color= Scanning dependencies of target options-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/options/tests/CMakeFiles/options-test.dir/build.make src/gromacs/options/tests/CMakeFiles/options-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/abstractoptionstorage.cpp /usr/bin/make -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/DependInfo.cmake --color= Scanning dependencies of target pbcutil-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build.make src/gromacs/pbcutil/tests/CMakeFiles/pbcutil-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/tests/pbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/tests/pbcenums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pbcutil/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pbcutil/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pbcutil-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/pbcutil-test.dir/pbc.cpp.o CMakeFiles/pbcutil-test.dir/pbcenums.cpp.o CMakeFiles/pbcutil-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pbcutil-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 86%] Built target pbcutil-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/filenameoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdspan/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdspan-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/mdspan-test.dir/accessor_policy.cpp.o CMakeFiles/mdspan-test.dir/extents.cpp.o CMakeFiles/mdspan-test.dir/extensions.cpp.o CMakeFiles/mdspan-test.dir/layouts.cpp.o CMakeFiles/mdspan-test.dir/mdspan.cpp.o CMakeFiles/mdspan-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdspan-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 86%] Built target mdspan-test /usr/bin/make -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/CMakeFiles/random-test.dir/DependInfo.cmake --color= Scanning dependencies of target random-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/random/tests/CMakeFiles/random-test.dir/build.make src/gromacs/random/tests/CMakeFiles/random-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/exponentialdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/exponentialdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/gammadistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/gammadistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/filenameoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/normaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/normaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/vectypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/tests/vectypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/math/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/seed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/seed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/option.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/option.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/tabulatednormaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/threefry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/threefry.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/math/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/math-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/math-test.dir/arrayrefwithpadding.cpp.o CMakeFiles/math-test.dir/coordinatetransformation.cpp.o CMakeFiles/math-test.dir/densityfit.cpp.o CMakeFiles/math-test.dir/dofit.cpp.o CMakeFiles/math-test.dir/exponentialmovingaverage.cpp.o CMakeFiles/math-test.dir/functions.cpp.o CMakeFiles/math-test.dir/gausstransform.cpp.o CMakeFiles/math-test.dir/densityfittingforce.cpp.o CMakeFiles/math-test.dir/invertmatrix.cpp.o CMakeFiles/math-test.dir/matrix.cpp.o CMakeFiles/math-test.dir/multidimarray.cpp.o CMakeFiles/math-test.dir/paddedvector.cpp.o CMakeFiles/math-test.dir/vectypes.cpp.o CMakeFiles/math-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/math-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/optionsassigner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/optionsassigner.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 88%] Built target math-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/uniformintdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/repeatingsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/repeatingsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/timeunitmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/timeunitmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tests/uniformrealdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/random/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/treesupport.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/tests/treesupport.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/random/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/random-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/random-test.dir/exponentialdistribution.cpp.o CMakeFiles/random-test.dir/gammadistribution.cpp.o CMakeFiles/random-test.dir/normaldistribution.cpp.o CMakeFiles/random-test.dir/seed.cpp.o CMakeFiles/random-test.dir/tabulatednormaldistribution.cpp.o CMakeFiles/random-test.dir/threefry.cpp.o CMakeFiles/random-test.dir/uniformintdistribution.cpp.o CMakeFiles/random-test.dir/uniformrealdistribution.cpp.o CMakeFiles/random-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/random-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 89%] Built target random-test /usr/bin/make -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/DependInfo.cmake --color= Scanning dependencies of target restraintpotential-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build.make src/gromacs/restraint/tests/CMakeFiles/restraintpotential-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/manager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/tests/manager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/options/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/restraint/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests/CMakeFiles/table-test.dir/DependInfo.cmake --color= Scanning dependencies of target table-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/tables/tests/CMakeFiles/table-test.dir/build.make src/gromacs/tables/tests/CMakeFiles/table-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/splinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/tests/splinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/tables/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/restraint/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/restraintpotential-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/restraintpotential-test.dir/manager.cpp.o CMakeFiles/restraintpotential-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/restraintpotential-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a /usr/bin/make -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/DependInfo.cmake --color= Scanning dependencies of target taskassignment-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build.make src/gromacs/taskassignment/tests/CMakeFiles/taskassignment-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/tests/usergpuids.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 89%] Built target restraintpotential-test /usr/bin/make -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests/CMakeFiles/topology-test.dir/DependInfo.cmake --color= Scanning dependencies of target topology-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build.make src/gromacs/topology/tests/CMakeFiles/topology-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/exclusionblocks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests/exclusionblocks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/mtop.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests/mtop.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/options/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/options-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/options-test.dir/abstractoptionstorage.cpp.o CMakeFiles/options-test.dir/filenameoption.cpp.o CMakeFiles/options-test.dir/filenameoptionmanager.cpp.o CMakeFiles/options-test.dir/option.cpp.o CMakeFiles/options-test.dir/optionsassigner.cpp.o CMakeFiles/options-test.dir/repeatingsection.cpp.o CMakeFiles/options-test.dir/timeunitmanager.cpp.o CMakeFiles/options-test.dir/treesupport.cpp.o CMakeFiles/options-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/options-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 90%] Built target options-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/symtab.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/tests/symtab.cpp /usr/bin/make -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/DependInfo.cmake --color= Scanning dependencies of target pull-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build.make src/gromacs/pulling/tests/CMakeFiles/pull-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/pull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/tests/pull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/taskassignment/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/taskassignment/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/taskassignment-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/taskassignment-test.dir/usergpuids.cpp.o CMakeFiles/taskassignment-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/taskassignment-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 91%] Built target taskassignment-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/pulling/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests/CMakeFiles/awh-test.dir/DependInfo.cmake --color= Scanning dependencies of target awh-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build.make src/gromacs/awh/tests/CMakeFiles/awh-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/bias.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests/bias.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/topology/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/pulling/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/pull-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/pull-test.dir/pull.cpp.o CMakeFiles/pull-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/pull-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/topology/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/topology-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/topology-test.dir/exclusionblocks.cpp.o CMakeFiles/topology-test.dir/mtop.cpp.o CMakeFiles/topology-test.dir/symtab.cpp.o CMakeFiles/topology-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/topology-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 92%] Built target pull-test /usr/bin/make -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/CMakeFiles/simd-test.dir/DependInfo.cmake --color= Scanning dependencies of target simd-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build.make src/gromacs/simd/tests/CMakeFiles/simd-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/bootstrap_loadstore.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 93%] Built target topology-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/base.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/base.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/tables/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/table-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/table-test.dir/splinetable.cpp.o CMakeFiles/table-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/table-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 93%] Built target table-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_floatingpoint_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_vector_operations.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/biasstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests/biasstate.cpp /usr/bin/make -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests/CMakeFiles/compat-test.dir/DependInfo.cmake --color= Scanning dependencies of target compat-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build.make src/gromacs/compat/tests/CMakeFiles/compat-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -Wno-unused-member-function -o CMakeFiles/compat-test.dir/optional.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests/optional.cpp /usr/bin/make -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/DependInfo.cmake --color= Scanning dependencies of target fileio-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build.make src/gromacs/fileio/tests/CMakeFiles/fileio-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/confio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/confio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_math.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_math.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/tests/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/filemd5.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/filemd5.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/awh/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/mrcserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/awh/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/awh-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/awh-test.dir/bias.cpp.o CMakeFiles/awh-test.dir/biasstate.cpp.o CMakeFiles/awh-test.dir/grid.cpp.o CMakeFiles/awh-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/awh-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 94%] Built target awh-test /usr/bin/make -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/DependInfo.cmake --color= Scanning dependencies of target commandline-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build.make src/gromacs/commandline/tests/CMakeFiles/commandline-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/mrcdensitymapheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_memory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_memory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/pointers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests/pointers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinehelpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/string_view.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/compat/tests/string_view.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/readinp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/readinp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/fileioxdrserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd_integer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd_integer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/tngio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tests/tngio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlinemodulemanagertest.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/fileio/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/fileio/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileio-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/fileio-test.dir/confio.cpp.o CMakeFiles/fileio-test.dir/filemd5.cpp.o CMakeFiles/fileio-test.dir/mrcserializer.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymap.cpp.o CMakeFiles/fileio-test.dir/mrcdensitymapheader.cpp.o CMakeFiles/fileio-test.dir/readinp.cpp.o CMakeFiles/fileio-test.dir/fileioxdrserializer.cpp.o CMakeFiles/fileio-test.dir/tngio.cpp.o CMakeFiles/fileio-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/fileio-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 95%] Built target fileio-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4_floatingpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/compat/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/compat/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/compat-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/compat-test.dir/optional.cpp.o CMakeFiles/compat-test.dir/pointers.cpp.o CMakeFiles/compat-test.dir/string_view.cpp.o CMakeFiles/compat-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/compat-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 96%] Built target compat-test /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrunutility-mpi-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-mpi-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity_mpi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4_vector_operations.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/Testing/Temporary\" -DTEST_USES_MPI=true -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/simd4_math.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/simd4_math.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-mpi-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-mpi-test.dir/threadaffinity_mpi.cpp.o CMakeFiles/mdrunutility-mpi-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-mpi-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/scalar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/cmdlineprogramcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/scalar_util.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 96%] Built target mdrunutility-mpi-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/scalar_math.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/tests/scalar_math.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/filenm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/filenm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/pargs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/tests/pargs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/commandline/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/simd/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/DependInfo.cmake --color= Scanning dependencies of target mdrunutility-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build.make src/gromacs/mdrunutility/tests/CMakeFiles/mdrunutility-test.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/tests/threadaffinity.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/simd/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/simd-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/simd-test.dir/bootstrap_loadstore.cpp.o CMakeFiles/simd-test.dir/base.cpp.o CMakeFiles/simd-test.dir/simd.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd_floatingpoint_util.cpp.o CMakeFiles/simd-test.dir/simd_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd_math.cpp.o CMakeFiles/simd-test.dir/simd_memory.cpp.o CMakeFiles/simd-test.dir/simd_integer.cpp.o CMakeFiles/simd-test.dir/simd4.cpp.o CMakeFiles/simd-test.dir/simd4_floatingpoint.cpp.o CMakeFiles/simd-test.dir/simd4_vector_operations.cpp.o CMakeFiles/simd-test.dir/simd4_math.cpp.o CMakeFiles/simd-test.dir/scalar.cpp.o CMakeFiles/simd-test.dir/scalar_util.cpp.o CMakeFiles/simd-test.dir/scalar_math.cpp.o CMakeFiles/simd-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/simd-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgtest.a cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/mpicxx.openmpi -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DTEST_DATA_PATH=\"src/gromacs/mdrunutility/tests\" -DTEST_TEMP_PATH=\"/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests/Testing/Temporary\" -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googlemock/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/googletest/googletest/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -msse4.1 -fexcess-precision=fast -funroll-all-loops -fopenmp -std=c++14 -o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/testutils/unittest_main.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [ 98%] Built target simd-test cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/commandline/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/commandline-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/commandline-test.dir/cmdlinehelpmodule.cpp.o CMakeFiles/commandline-test.dir/cmdlinehelpwriter.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanager.cpp.o CMakeFiles/commandline-test.dir/cmdlinemodulemanagertest.cpp.o CMakeFiles/commandline-test.dir/cmdlineparser.cpp.o CMakeFiles/commandline-test.dir/cmdlineprogramcontext.cpp.o CMakeFiles/commandline-test.dir/filenm.cpp.o CMakeFiles/commandline-test.dir/pargs.cpp.o CMakeFiles/commandline-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/commandline-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a ../../../../lib/libonlinehelp-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdrunutility/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdrunutility-test.dir/link.txt --verbose=1 /usr/bin/mpicxx.openmpi -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -O3 -DNDEBUG -L/usr/lib/openmpi/lib -Wl,-z,relro -Wl,-z,now CMakeFiles/mdrunutility-test.dir/threadaffinity.cpp.o CMakeFiles/mdrunutility-test.dir/__/__/__/testutils/unittest_main.cpp.o -o ../../../../bin/mdrunutility-test ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a ../../../../lib/libgmock.a ../../../../lib/libmdrunutility-test-shared.a ../../../../lib/libtestutils.a ../../../../lib/libgromacs_mdrun_mpi.openmpi.a /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libhwloc.so -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -lm /usr/lib/gcc/x86_64-linux-gnu/10/libgomp.so ../../../../lib/libgmock.a ../../../../lib/libgtest.a make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [100%] Built target commandline-test make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [100%] Built target mdrunutility-test /usr/bin/make -f CMakeFiles/tests.dir/build.make CMakeFiles/tests.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/CMakeFiles/tests.dir/DependInfo.cmake --color= Scanning dependencies of target tests make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/make -f CMakeFiles/tests.dir/build.make CMakeFiles/tests.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[4]: Nothing to be done for 'CMakeFiles/tests.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' [100%] Built target tests make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/CMakeFiles 0 make[2]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' make[1]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi' (cd build/openmpi ; LD_LIBRARY_PATH=/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/lib \ OMPI_MCA_plm_rsh_agent=/bin/false \ OMPI_MCA_rmaps_base_oversubscribe=1 \ ctest -V || dpkg-architecture -i hurd-i386 || dpkg-architecture -i x32 ) UpdateCTestConfiguration from :/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/DartConfiguration.tcl Parse Config file:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/DartConfiguration.tcl UpdateCTestConfiguration from :/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/DartConfiguration.tcl Parse Config file:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/DartConfiguration.tcl Test project /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi Constructing a list of tests Done constructing a list of tests Updating test list for fixtures Added 0 tests to meet fixture requirements Checking test dependency graph... Checking test dependency graph end test 1 Start 1: TestUtilsUnitTests 1: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/testutils-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/TestUtilsUnitTests.xml" 1: Test timeout computed to be: 30 1: [==========] Running 59 tests from 5 test cases. 1: [----------] Global test environment set-up. 1: [----------] 10 tests from InteractiveTestHelperTest 1: [ RUN ] InteractiveTestHelperTest.ChecksSimpleSession 1: [ OK ] InteractiveTestHelperTest.ChecksSimpleSession (2 ms) 1: [ RUN ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline 1: [ OK ] InteractiveTestHelperTest.ChecksSessionWithoutLastNewline (1 ms) 1: [ RUN ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput 1: [ OK ] InteractiveTestHelperTest.ChecksSessionWithMissingOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput 1: [ OK ] InteractiveTestHelperTest.ChecksSessionWithEquivalentOutput (0 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsIncorrectOutput 1: [ OK ] InteractiveTestHelperTest.DetectsIncorrectOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsMissingOutput 1: [ OK ] InteractiveTestHelperTest.DetectsMissingOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsMissingFinalOutput 1: [ OK ] InteractiveTestHelperTest.DetectsMissingFinalOutput (0 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsExtraOutput 1: [ OK ] InteractiveTestHelperTest.DetectsExtraOutput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsMissingInput 1: [ OK ] InteractiveTestHelperTest.DetectsMissingInput (1 ms) 1: [ RUN ] InteractiveTestHelperTest.DetectsExtraInput 1: [ OK ] InteractiveTestHelperTest.DetectsExtraInput (0 ms) 1: [----------] 10 tests from InteractiveTestHelperTest (8 ms total) 1: 1: [----------] 34 tests from ReferenceDataTest 1: [ RUN ] ReferenceDataTest.HandlesSimpleData 1: [ OK ] ReferenceDataTest.HandlesSimpleData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesFloatingPointData 1: [ OK ] ReferenceDataTest.HandlesFloatingPointData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesPresenceChecks 1: [ OK ] ReferenceDataTest.HandlesPresenceChecks (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesStringBlockData 1: [ OK ] ReferenceDataTest.HandlesStringBlockData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesVectorData 1: [ OK ] ReferenceDataTest.HandlesVectorData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesSequenceData 1: [ OK ] ReferenceDataTest.HandlesSequenceData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSequenceOfCustomData 1: [ OK ] ReferenceDataTest.HandlesSequenceOfCustomData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesIncorrectData 1: [ OK ] ReferenceDataTest.HandlesIncorrectData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesIncorrectDataType 1: [ OK ] ReferenceDataTest.HandlesIncorrectDataType (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesMissingData 1: [ OK ] ReferenceDataTest.HandlesMissingData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUncheckedData 1: [ OK ] ReferenceDataTest.HandlesUncheckedData (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUncheckedDataInSequence 1: [ OK ] ReferenceDataTest.HandlesUncheckedDataInSequence (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUncheckedDataInCompound 1: [ OK ] ReferenceDataTest.HandlesUncheckedDataInCompound (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesAnys 1: [ OK ] ReferenceDataTest.HandlesAnys (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesKeyValueTree 1: [ OK ] ReferenceDataTest.HandlesKeyValueTree (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesKeyValueTreeExtraKey 1: [ OK ] ReferenceDataTest.HandlesKeyValueTreeExtraKey (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesKeyValueTreeMissingKey 1: [ OK ] ReferenceDataTest.HandlesKeyValueTreeMissingKey (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesAnysWithIncorrectValue 1: [ OK ] ReferenceDataTest.HandlesAnysWithIncorrectValue (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesAnysWithIncorrectType 1: [ OK ] ReferenceDataTest.HandlesAnysWithIncorrectType (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesMissingReferenceDataFile 1: [ OK ] ReferenceDataTest.HandlesMissingReferenceDataFile (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSpecialCharactersInStrings 1: [ OK ] ReferenceDataTest.HandlesSpecialCharactersInStrings (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace 1: [ OK ] ReferenceDataTest.HandlesStringsWithTextAndWhitespace (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesEmptyStrings 1: [ OK ] ReferenceDataTest.HandlesEmptyStrings (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesEmbeddedCdataEndTagInTextBlock 1: [ OK ] ReferenceDataTest.HandlesEmbeddedCdataEndTagInTextBlock (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesSequenceItemIndices 1: [ OK ] ReferenceDataTest.HandlesSequenceItemIndices (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesMultipleChecksAgainstSameData 1: [ OK ] ReferenceDataTest.HandlesMultipleChecksAgainstSameData (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesMultipleNullIds 1: [ OK ] ReferenceDataTest.HandlesMultipleNullIds (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds 1: [ OK ] ReferenceDataTest.HandlesMultipleComparisonsAgainstNullIds (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesReadingValues 1: [ OK ] ReferenceDataTest.HandlesReadingValues (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithoutChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithoutChanges (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithValueChanges (0 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithTypeChanges (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithCompoundChanges (1 ms) 1: [ RUN ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries 1: [ OK ] ReferenceDataTest.HandlesUpdateChangedWithRemovedEntries (0 ms) 1: [----------] 34 tests from ReferenceDataTest (19 ms total) 1: 1: [----------] 7 tests from FloatingPointDifferenceTest 1: [ RUN ] FloatingPointDifferenceTest.HandlesEqualValues 1: [ OK ] FloatingPointDifferenceTest.HandlesEqualValues (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesFloatValues 1: [ OK ] FloatingPointDifferenceTest.HandlesFloatValues (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesZerosOfDifferentSign 1: [ OK ] FloatingPointDifferenceTest.HandlesZerosOfDifferentSign (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesSignComparisonWithZero 1: [ OK ] FloatingPointDifferenceTest.HandlesSignComparisonWithZero (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesUlpDifferences 1: [ OK ] FloatingPointDifferenceTest.HandlesUlpDifferences (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesUlpDifferenceAcrossZero 1: [ OK ] FloatingPointDifferenceTest.HandlesUlpDifferenceAcrossZero (0 ms) 1: [ RUN ] FloatingPointDifferenceTest.HandlesNaN 1: [ OK ] FloatingPointDifferenceTest.HandlesNaN (0 ms) 1: [----------] 7 tests from FloatingPointDifferenceTest (0 ms total) 1: 1: [----------] 4 tests from FloatingPointToleranceTest 1: [ RUN ] FloatingPointToleranceTest.UlpTolerance 1: [ OK ] FloatingPointToleranceTest.UlpTolerance (0 ms) 1: [ RUN ] FloatingPointToleranceTest.RelativeToleranceAsFloatingPoint 1: [ OK ] FloatingPointToleranceTest.RelativeToleranceAsFloatingPoint (0 ms) 1: [ RUN ] FloatingPointToleranceTest.RelativeToleranceAsUlp 1: [ OK ] FloatingPointToleranceTest.RelativeToleranceAsUlp (0 ms) 1: [ RUN ] FloatingPointToleranceTest.DefaultFloatTolerance 1: [ OK ] FloatingPointToleranceTest.DefaultFloatTolerance (0 ms) 1: [----------] 4 tests from FloatingPointToleranceTest (0 ms total) 1: 1: [----------] 4 tests from XvgTests 1: [ RUN ] XvgTests.CreateFile 1: [ OK ] XvgTests.CreateFile (0 ms) 1: [ RUN ] XvgTests.CheckMissing 1: [ OK ] XvgTests.CheckMissing (1 ms) 1: [ RUN ] XvgTests.CheckExtra 1: [ OK ] XvgTests.CheckExtra (1 ms) 1: [ RUN ] XvgTests.ReadIncorrect 1: [ OK ] XvgTests.ReadIncorrect (1 ms) 1: [----------] 4 tests from XvgTests (3 ms total) 1: 1: [----------] Global test environment tear-down 1: [==========] 59 tests from 5 test cases ran. (31 ms total) 1: [ PASSED ] 59 tests. 1/30 Test #1: TestUtilsUnitTests ............... Passed 8.32 sec test 2 Start 2: TestUtilsMpiUnitTests 2: Test command: /usr/bin/mpiexec.openmpi "-np" "2" "-host" "localhost" "/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/testutils-mpi-test" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/TestUtilsMpiUnitTests.xml" 2: Test timeout computed to be: 30 2: [==========] Running 1 test from 1 test case. 2: [----------] Global test environment set-up. 2: [----------] 1 test from MpiSelfTest 2: [ RUN ] MpiSelfTest.Runs 2: [ OK ] MpiSelfTest.Runs (0 ms) 2: [----------] 1 test from MpiSelfTest (0 ms total) 2: 2: [----------] Global test environment tear-down 2: [==========] 1 test from 1 test case ran. (0 ms total) 2: [ PASSED ] 1 test. 2/30 Test #2: TestUtilsMpiUnitTests ............ Passed 0.88 sec test 3 Start 3: UtilityUnitTests 3: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/utility-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/UtilityUnitTests.xml" 3: Test timeout computed to be: 30 3: [==========] Running 347 tests from 56 test cases. 3: [----------] Global test environment set-up. 3: [----------] 5 tests from AllocatorTest/0, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment (1 ms) 3: [ RUN ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/0.Move 3: [ OK ] AllocatorTest/0.Move (0 ms) 3: [ RUN ] AllocatorTest/0.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/0.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/0 (1 ms total) 3: 3: [----------] 5 tests from AllocatorTest/1, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/1.Move 3: [ OK ] AllocatorTest/1.Move (0 ms) 3: [ RUN ] AllocatorTest/1.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/1.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/1 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/2, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/2.Move 3: [ OK ] AllocatorTest/2.Move (0 ms) 3: [ RUN ] AllocatorTest/2.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/2.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/2 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/3, where TypeParam = gmx::Allocator 3: [ RUN ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/3.Move 3: [ OK ] AllocatorTest/3.Move (0 ms) 3: [ RUN ] AllocatorTest/3.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/3.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/3 (0 ms total) 3: 3: [----------] 5 tests from AllocatorTest/4, where TypeParam = gmx::Allocator, gmx::AlignedAllocationPolicy> 3: [ RUN ] AllocatorTest/4.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/4.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/4.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/4.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/4.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/4.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/4.Move 3: [ OK ] AllocatorTest/4.Move (0 ms) 3: [ RUN ] AllocatorTest/4.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/4.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/4 (1 ms total) 3: 3: [----------] 5 tests from AllocatorTest/5, where TypeParam = gmx::Allocator, gmx::PageAlignedAllocationPolicy> 3: [ RUN ] AllocatorTest/5.AllocatorAlignAllocatesWithAlignment 3: [ OK ] AllocatorTest/5.AllocatorAlignAllocatesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/5.VectorAllocatesAndResizesWithAlignment 3: [ OK ] AllocatorTest/5.VectorAllocatesAndResizesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/5.VectorAllocatesAndReservesWithAlignment 3: [ OK ] AllocatorTest/5.VectorAllocatesAndReservesWithAlignment (0 ms) 3: [ RUN ] AllocatorTest/5.Move 3: [ OK ] AllocatorTest/5.Move (0 ms) 3: [ RUN ] AllocatorTest/5.StatelessAllocatorUsesNoMemory 3: [ OK ] AllocatorTest/5.StatelessAllocatorUsesNoMemory (0 ms) 3: [----------] 5 tests from AllocatorTest/5 (0 ms total) 3: 3: [----------] 1 test from AllocatorUntypedTest 3: [ RUN ] AllocatorUntypedTest.Comparison 3: [ OK ] AllocatorUntypedTest.Comparison (0 ms) 3: [----------] 1 test from AllocatorUntypedTest (0 ms total) 3: 3: [----------] 1 test from EmptyArrayRefTest 3: [ RUN ] EmptyArrayRefTest.IsEmpty 3: [ OK ] EmptyArrayRefTest.IsEmpty (0 ms) 3: [----------] 1 test from EmptyArrayRefTest (0 ms total) 3: 3: [----------] 1 test from EmptyConstArrayRefTest 3: [ RUN ] EmptyConstArrayRefTest.IsEmpty 3: [ OK ] EmptyConstArrayRefTest.IsEmpty (0 ms) 3: [----------] 1 test from EmptyConstArrayRefTest (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/0, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/0.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/0.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/0.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/0.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/0.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/0.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/0.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/0.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/0.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/0.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/0.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/0 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/1, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/1.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/1.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/1.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/1.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/1.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/1.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/1.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/1.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/1.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/1.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/1.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/1 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/2, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/2.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/2.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/2.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/2.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/2.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/2.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/2.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/2.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/2.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/2.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/2.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/2 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/3, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/3.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/3.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/3.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/3.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/3.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/3.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/3.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/3.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/3.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/3.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/3.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/3 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/4, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/4.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/4.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/4.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/4.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/4.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/4.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/4.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/4.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/4.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/4.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/4.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/4 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/5, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/5.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/5.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/5.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/5.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/5.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/5.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/5.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/5.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/5.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/5.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/5.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/5 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/6, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/6.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/6.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/6.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/6.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/6.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/6.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/6.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/6.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/6.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/6.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/6.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/6 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/7, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/7.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/7.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/7.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/7.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/7.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/7.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/7.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/7.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/7.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/7.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/7.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/7 (1 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/8, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/8.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/8.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/8.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/8.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/8.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/8.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/8.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/8.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/8.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/8.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/8.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/8 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/9, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/9.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/9.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/9.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/9.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/9.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/9.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/9.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/9.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/9.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/9.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/9.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/9 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/10, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/10.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/10.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/10.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/10.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/10.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/10.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/10.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/10.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/10.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/10.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/10.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/10 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/11, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/11.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/11.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/11.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/11.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/11.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/11.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/11.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/11.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/11.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/11.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/11.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/11 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/12, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/12.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/12.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/12.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/12.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/12.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/12.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/12.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/12.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/12.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/12.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/12.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/12 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/13, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/13.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/13.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/13.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/13.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/13.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/13.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/13.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/13.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/13.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/13.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/13.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/13 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/14, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/14.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/14.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/14.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/14.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/14.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/14.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/14.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/14.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/14.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/14.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/14.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/14 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/15, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/15.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/15.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/15.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/15.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/15.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/15.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/15.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/15.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/15.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/15.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/15.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/15 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/16, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/16.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/16.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/16.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/16.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/16.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/16.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/16.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/16.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/16.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/16.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/16.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/16 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/17, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/17.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/17.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/17.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/17.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/17.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/17.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/17.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/17.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/17.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/17.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/17.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/17 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/18, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/18.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/18.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/18.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/18.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/18.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/18.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/18.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/18.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/18.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/18.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/18.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/18 (0 ms total) 3: 3: [----------] 9 tests from ArrayRefTest/19, where TypeParam = gmx::ArrayRef 3: [ RUN ] ArrayRefTest/19.MakeWithAssignmentWorks 3: [ OK ] ArrayRefTest/19.MakeWithAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.MakeWithNonConstAssignmentWorks 3: [ OK ] ArrayRefTest/19.MakeWithNonConstAssignmentWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/19.ConstructWithTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructWithNonConstTemplateConstructorWorks 3: [ OK ] ArrayRefTest/19.ConstructWithNonConstTemplateConstructorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromPointersWorks 3: [ OK ] ArrayRefTest/19.ConstructFromPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromNonConstPointersWorks 3: [ OK ] ArrayRefTest/19.ConstructFromNonConstPointersWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromVectorWorks 3: [ OK ] ArrayRefTest/19.ConstructFromVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromNonConstVectorWorks 3: [ OK ] ArrayRefTest/19.ConstructFromNonConstVectorWorks (0 ms) 3: [ RUN ] ArrayRefTest/19.ConstructFromStructFieldWithTemplateConstructorWorks 3: [ OK ] ArrayRefTest/19.ConstructFromStructFieldWithTemplateConstructorWorks (0 ms) 3: [----------] 9 tests from ArrayRefTest/19 (0 ms total) 3: 3: [----------] 2 tests from CStringUtilityTest 3: [ RUN ] CStringUtilityTest.CaseInsensitiveComparison 3: [ OK ] CStringUtilityTest.CaseInsensitiveComparison (0 ms) 3: [ RUN ] CStringUtilityTest.CaseInsensitiveComparisonInLength 3: [ OK ] CStringUtilityTest.CaseInsensitiveComparisonInLength (0 ms) 3: [----------] 2 tests from CStringUtilityTest (1 ms total) 3: 3: [----------] 2 tests from DefaultInitializationAllocator 3: [ RUN ] DefaultInitializationAllocator.PerformsValueInitialization 3: [ OK ] DefaultInitializationAllocator.PerformsValueInitialization (0 ms) 3: [ RUN ] DefaultInitializationAllocator.PerformsNoInitialization 3: [ OK ] DefaultInitializationAllocator.PerformsNoInitialization (0 ms) 3: [----------] 2 tests from DefaultInitializationAllocator (0 ms total) 3: 3: [----------] 4 tests from EnumerationHelpersTest 3: [ RUN ] EnumerationHelpersTest.EnumerationWrapperWorks 3: [ OK ] EnumerationHelpersTest.EnumerationWrapperWorks (0 ms) 3: [ RUN ] EnumerationHelpersTest.EnumerationArrayWorks 3: [ OK ] EnumerationHelpersTest.EnumerationArrayWorks (0 ms) 3: [ RUN ] EnumerationHelpersTest.EnumerationArrayCountIsSafe 3: [ OK ] EnumerationHelpersTest.EnumerationArrayCountIsSafe (0 ms) 3: [ RUN ] EnumerationHelpersTest.ArrayRefOfEnumerationArrayWorks 3: [ OK ] EnumerationHelpersTest.ArrayRefOfEnumerationArrayWorks (0 ms) 3: [----------] 4 tests from EnumerationHelpersTest (0 ms total) 3: 3: [----------] 9 tests from FixedCapacityVectorTest 3: [ RUN ] FixedCapacityVectorTest.IsEmpty 3: [ OK ] FixedCapacityVectorTest.IsEmpty (0 ms) 3: [ RUN ] FixedCapacityVectorTest.PushWorks 3: [ OK ] FixedCapacityVectorTest.PushWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.PopWorks 3: [ OK ] FixedCapacityVectorTest.PopWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.ClearWorks 3: [ OK ] FixedCapacityVectorTest.ClearWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.EmplaceBackWorks 3: [ OK ] FixedCapacityVectorTest.EmplaceBackWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.AtThrows 3: [ OK ] FixedCapacityVectorTest.AtThrows (0 ms) 3: [ RUN ] FixedCapacityVectorTest.IteratorWorks 3: [ OK ] FixedCapacityVectorTest.IteratorWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.ReverseIteratorWorks 3: [ OK ] FixedCapacityVectorTest.ReverseIteratorWorks (0 ms) 3: [ RUN ] FixedCapacityVectorTest.ZeroCapacityWorks 3: [ OK ] FixedCapacityVectorTest.ZeroCapacityWorks (0 ms) 3: [----------] 9 tests from FixedCapacityVectorTest (0 ms total) 3: 3: [----------] 5 tests from InMemorySerializerTest 3: [ RUN ] InMemorySerializerTest.Roundtrip 3: [ OK ] InMemorySerializerTest.Roundtrip (0 ms) 3: [ RUN ] InMemorySerializerTest.RoundtripWithEndianessSwap 3: [ OK ] InMemorySerializerTest.RoundtripWithEndianessSwap (0 ms) 3: [ RUN ] InMemorySerializerTest.SerializerExplicitEndianessSwap 3: [ OK ] InMemorySerializerTest.SerializerExplicitEndianessSwap (0 ms) 3: [ RUN ] InMemorySerializerTest.DeserializerExplicitEndianessSwap 3: [ OK ] InMemorySerializerTest.DeserializerExplicitEndianessSwap (0 ms) 3: [ RUN ] InMemorySerializerTest.SizeIsCorrect 3: [ OK ] InMemorySerializerTest.SizeIsCorrect (0 ms) 3: [----------] 5 tests from InMemorySerializerTest (0 ms total) 3: 3: [----------] 4 tests from KeyValueTreeSerializerTest 3: [ RUN ] KeyValueTreeSerializerTest.EmptyTree 3: [ OK ] KeyValueTreeSerializerTest.EmptyTree (0 ms) 3: [ RUN ] KeyValueTreeSerializerTest.SimpleObject 3: [ OK ] KeyValueTreeSerializerTest.SimpleObject (0 ms) 3: [ RUN ] KeyValueTreeSerializerTest.ObjectWithArrays 3: [ OK ] KeyValueTreeSerializerTest.ObjectWithArrays (0 ms) 3: [ RUN ] KeyValueTreeSerializerTest.ObjectWithObjects 3: [ OK ] KeyValueTreeSerializerTest.ObjectWithObjects (0 ms) 3: [----------] 4 tests from KeyValueTreeSerializerTest (1 ms total) 3: 3: [----------] 6 tests from TreeValueTransformTest 3: [ RUN ] TreeValueTransformTest.SimpleTransforms 3: [ OK ] TreeValueTransformTest.SimpleTransforms (0 ms) 3: [ RUN ] TreeValueTransformTest.SimpleTransformsCaseAndDashInsensitive 3: [ OK ] TreeValueTransformTest.SimpleTransformsCaseAndDashInsensitive (0 ms) 3: [ RUN ] TreeValueTransformTest.SimpleTransformsToObject 3: [ OK ] TreeValueTransformTest.SimpleTransformsToObject (0 ms) 3: [ RUN ] TreeValueTransformTest.ObjectFromString 3: [ OK ] TreeValueTransformTest.ObjectFromString (0 ms) 3: [ RUN ] TreeValueTransformTest.ObjectFromMultipleStrings 3: [ OK ] TreeValueTransformTest.ObjectFromMultipleStrings (0 ms) 3: [ RUN ] TreeValueTransformTest.ScopedTransformRules 3: [ OK ] TreeValueTransformTest.ScopedTransformRules (1 ms) 3: [----------] 6 tests from TreeValueTransformTest (1 ms total) 3: 3: [----------] 1 test from TreeValueTransformErrorTest 3: [ RUN ] TreeValueTransformErrorTest.ConversionError 3: [ OK ] TreeValueTransformErrorTest.ConversionError (0 ms) 3: [----------] 1 test from TreeValueTransformErrorTest (0 ms total) 3: 3: [----------] 7 tests from LoggerTest 3: [ RUN ] LoggerTest.EmptyLoggerWorks 3: [ OK ] LoggerTest.EmptyLoggerWorks (0 ms) 3: [ RUN ] LoggerTest.LogsToStream 3: [ OK ] LoggerTest.LogsToStream (0 ms) 3: [ RUN ] LoggerTest.LogsToFile 3: [ OK ] LoggerTest.LogsToFile (10 ms) 3: [ RUN ] LoggerTest.LevelFilteringWorks 3: [ OK ] LoggerTest.LevelFilteringWorks (0 ms) 3: [ RUN ] LoggerTest.LogsToMultipleStreams 3: [ OK ] LoggerTest.LogsToMultipleStreams (0 ms) 3: [ RUN ] LoggerTest.LogsToMultipleFiles 3: [ OK ] LoggerTest.LogsToMultipleFiles (1 ms) 3: [ RUN ] LoggerTest.LogsToStreamAndFile 3: [ OK ] LoggerTest.LogsToStreamAndFile (0 ms) 3: [----------] 7 tests from LoggerTest (11 ms total) 3: 3: [----------] 4 tests from MutexBasicTest 3: [ RUN ] MutexBasicTest.CanBeMade 3: [ OK ] MutexBasicTest.CanBeMade (0 ms) 3: [ RUN ] MutexBasicTest.CanBeLocked 3: [ OK ] MutexBasicTest.CanBeLocked (0 ms) 3: [ RUN ] MutexBasicTest.CanBeTryLocked 3: [ OK ] MutexBasicTest.CanBeTryLocked (0 ms) 3: [ RUN ] MutexBasicTest.CanBeUsedInLockGuard 3: [ OK ] MutexBasicTest.CanBeUsedInLockGuard (0 ms) 3: [----------] 4 tests from MutexBasicTest (0 ms total) 3: 3: [----------] 3 tests from MutexTaskTest 3: [ RUN ] MutexTaskTest.MutualExclusionWorksWithLock 3: [ OK ] MutexTaskTest.MutualExclusionWorksWithLock (0 ms) 3: [ RUN ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread 3: [ OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnOtherThread (0 ms) 3: [ RUN ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread 3: [ OK ] MutexTaskTest.MutualExclusionWorksWithTryLockOnSameThread (0 ms) 3: [----------] 3 tests from MutexTaskTest (0 ms total) 3: 3: [----------] 2 tests from PathTest 3: [ RUN ] PathTest.StripSourcePrefixWorks 3: [ OK ] PathTest.StripSourcePrefixWorks (0 ms) 3: [ RUN ] PathTest.SearchOperationsWork 3: [ OK ] PathTest.SearchOperationsWork (1 ms) 3: [----------] 2 tests from PathTest (1 ms total) 3: 3: [----------] 2 tests from PhysicalNodeCommunicatorTest 3: [ RUN ] PhysicalNodeCommunicatorTest.CanConstruct 3: [ OK ] PhysicalNodeCommunicatorTest.CanConstruct (0 ms) 3: [ RUN ] PhysicalNodeCommunicatorTest.CanCallBarrier 3: [ OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (0 ms) 3: [----------] 2 tests from PhysicalNodeCommunicatorTest (0 ms total) 3: 3: [----------] 9 tests from StringUtilityTest 3: [ RUN ] StringUtilityTest.StartsWith 3: [ OK ] StringUtilityTest.StartsWith (0 ms) 3: [ RUN ] StringUtilityTest.EndsWith 3: [ OK ] StringUtilityTest.EndsWith (0 ms) 3: [ RUN ] StringUtilityTest.StripSuffixIfPresent 3: [ OK ] StringUtilityTest.StripSuffixIfPresent (0 ms) 3: [ RUN ] StringUtilityTest.StripString 3: [ OK ] StringUtilityTest.StripString (0 ms) 3: [ RUN ] StringUtilityTest.SplitString 3: [ OK ] StringUtilityTest.SplitString (0 ms) 3: [ RUN ] StringUtilityTest.SplitDelimitedString 3: [ OK ] StringUtilityTest.SplitDelimitedString (0 ms) 3: [ RUN ] StringUtilityTest.SplitAndTrimDelimitedString 3: [ OK ] StringUtilityTest.SplitAndTrimDelimitedString (0 ms) 3: [ RUN ] StringUtilityTest.CanCompareCaseInsensitive 3: [ OK ] StringUtilityTest.CanCompareCaseInsensitive (0 ms) 3: [ RUN ] StringUtilityTest.CanCompareCaseInsensitiveInLength 3: [ OK ] StringUtilityTest.CanCompareCaseInsensitiveInLength (0 ms) 3: [----------] 9 tests from StringUtilityTest (0 ms total) 3: 3: [----------] 2 tests from FormatStringTest 3: [ RUN ] FormatStringTest.HandlesBasicFormatting 3: [ OK ] FormatStringTest.HandlesBasicFormatting (0 ms) 3: [ RUN ] FormatStringTest.HandlesLongStrings 3: [ OK ] FormatStringTest.HandlesLongStrings (0 ms) 3: [----------] 2 tests from FormatStringTest (0 ms total) 3: 3: [----------] 1 test from StringFormatterTest 3: [ RUN ] StringFormatterTest.HandlesBasicFormatting 3: [ OK ] StringFormatterTest.HandlesBasicFormatting (0 ms) 3: [----------] 1 test from StringFormatterTest (0 ms total) 3: 3: [----------] 1 test from formatAndJoinTest 3: [ RUN ] formatAndJoinTest.Works 3: [ OK ] formatAndJoinTest.Works (0 ms) 3: [----------] 1 test from formatAndJoinTest (0 ms total) 3: 3: [----------] 1 test from JoinStringsTest 3: [ RUN ] JoinStringsTest.Works 3: [ OK ] JoinStringsTest.Works (0 ms) 3: [----------] 1 test from JoinStringsTest (0 ms total) 3: 3: [----------] 6 tests from ReplaceAllTest 3: [ RUN ] ReplaceAllTest.HandlesEmptyStrings 3: [ OK ] ReplaceAllTest.HandlesEmptyStrings (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesNoMatches 3: [ OK ] ReplaceAllTest.HandlesNoMatches (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesMatchesAtEnds 3: [ OK ] ReplaceAllTest.HandlesMatchesAtEnds (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesMultipleMatches 3: [ OK ] ReplaceAllTest.HandlesMultipleMatches (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesWordBoundaries 3: [ OK ] ReplaceAllTest.HandlesWordBoundaries (0 ms) 3: [ RUN ] ReplaceAllTest.HandlesPossibleRecursiveMatches 3: [ OK ] ReplaceAllTest.HandlesPossibleRecursiveMatches (0 ms) 3: [----------] 6 tests from ReplaceAllTest (0 ms total) 3: 3: [----------] 10 tests from TextLineWrapperTest 3: [ RUN ] TextLineWrapperTest.HandlesEmptyStrings 3: [ OK ] TextLineWrapperTest.HandlesEmptyStrings (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesTrailingWhitespace 3: [ OK ] TextLineWrapperTest.HandlesTrailingWhitespace (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesTrailingNewlines 3: [ OK ] TextLineWrapperTest.HandlesTrailingNewlines (0 ms) 3: [ RUN ] TextLineWrapperTest.WrapsCorrectly 3: [ OK ] TextLineWrapperTest.WrapsCorrectly (0 ms) 3: [ RUN ] TextLineWrapperTest.WrapsCorrectlyWithExistingBreaks 3: [ OK ] TextLineWrapperTest.WrapsCorrectlyWithExistingBreaks (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesIndent 3: [ OK ] TextLineWrapperTest.HandlesIndent (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesIndentWithEmptyLines 3: [ OK ] TextLineWrapperTest.HandlesIndentWithEmptyLines (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesHangingIndent 3: [ OK ] TextLineWrapperTest.HandlesHangingIndent (0 ms) 3: [ RUN ] TextLineWrapperTest.HandlesContinuationCharacter 3: [ OK ] TextLineWrapperTest.HandlesContinuationCharacter (0 ms) 3: [ RUN ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace 3: [ OK ] TextLineWrapperTest.WrapsCorrectlyWithExtraWhitespace (0 ms) 3: [----------] 10 tests from TextLineWrapperTest (1 ms total) 3: 3: [----------] 6 tests from TextWriterTest 3: [ RUN ] TextWriterTest.WritesLines 3: [ OK ] TextWriterTest.WritesLines (0 ms) 3: [ RUN ] TextWriterTest.WritesLinesInParts 3: [ OK ] TextWriterTest.WritesLinesInParts (0 ms) 3: [ RUN ] TextWriterTest.WritesWrappedLines 3: [ OK ] TextWriterTest.WritesWrappedLines (0 ms) 3: [ RUN ] TextWriterTest.WritesLinesInPartsWithWrapper 3: [ OK ] TextWriterTest.WritesLinesInPartsWithWrapper (0 ms) 3: [ RUN ] TextWriterTest.TracksNewlines 3: [ OK ] TextWriterTest.TracksNewlines (0 ms) 3: [ RUN ] TextWriterTest.PreservesTrailingWhitespace 3: [ OK ] TextWriterTest.PreservesTrailingWhitespace (0 ms) 3: [----------] 6 tests from TextWriterTest (0 ms total) 3: 3: [----------] 1 test from TypeTraitsTest 3: [ RUN ] TypeTraitsTest.IsIntegralConstant 3: [ OK ] TypeTraitsTest.IsIntegralConstant (0 ms) 3: [----------] 1 test from TypeTraitsTest (0 ms total) 3: 3: [----------] 6 tests from BitmaskTest32_11/BitmaskTest32 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.SetAndClear/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.SetAndClear/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.InitBit/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.InitBit/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.InitLowBits/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.InitLowBits/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.Disjoint/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.Disjoint/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.Union/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.Union/0 (0 ms) 3: [ RUN ] BitmaskTest32_11/BitmaskTest32.ToHex/0 3: [ OK ] BitmaskTest32_11/BitmaskTest32.ToHex/0 (0 ms) 3: [----------] 6 tests from BitmaskTest32_11/BitmaskTest32 (0 ms total) 3: 3: [----------] 12 tests from BitmaskTest64_10_42/BitmaskTest64 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.SetAndClear/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitBit/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitBit/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitBit/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitBit/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.InitLowBits/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Disjoint/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Union/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Union/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.Union/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.Union/1 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.ToHex/0 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.ToHex/0 (0 ms) 3: [ RUN ] BitmaskTest64_10_42/BitmaskTest64.ToHex/1 3: [ OK ] BitmaskTest64_10_42/BitmaskTest64.ToHex/1 (0 ms) 3: [----------] 12 tests from BitmaskTest64_10_42/BitmaskTest64 (0 ms total) 3: 3: [----------] 12 tests from BitmaskTest128_9_78/BitmaskTest128 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.SetAndClear/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitBit/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitBit/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitBit/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitBit/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.InitLowBits/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Disjoint/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Union/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Union/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.Union/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.Union/1 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.ToHex/0 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.ToHex/0 (0 ms) 3: [ RUN ] BitmaskTest128_9_78/BitmaskTest128.ToHex/1 3: [ OK ] BitmaskTest128_9_78/BitmaskTest128.ToHex/1 (0 ms) 3: [----------] 12 tests from BitmaskTest128_9_78/BitmaskTest128 (0 ms total) 3: 3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/0 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/1 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDefaultPolicy/2 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/0 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/1 (1 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithAsyncLaunchPolicy/2 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/0 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/1 (0 ms) 3: [ RUN ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2 3: [ OK ] WithAndWithoutMutex/DifferentTasksTest.StdAsyncWorksWithDeferredLaunchPolicy/2 (0 ms) 3: [----------] 9 tests from WithAndWithoutMutex/DifferentTasksTest (1 ms total) 3: 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/0 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/0 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/1 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/1 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/2 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/2 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/3 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/3 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/4 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/4 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/5 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/5 (0 ms) 3: [ RUN ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/6 3: [ OK ] ParsesLinesDifferently/TextReaderTest.UsingDifferentConfigurations/6 (0 ms) 3: [----------] 7 tests from ParsesLinesDifferently/TextReaderTest (0 ms total) 3: 3: [----------] Global test environment tear-down 3: [==========] 347 tests from 56 test cases ran. (20 ms total) 3: [ PASSED ] 347 tests. 3/30 Test #3: UtilityUnitTests ................. Passed 0.80 sec test 4 Start 4: UtilityMpiUnitTests 4: Test command: /usr/bin/mpiexec.openmpi "-np" "4" "-host" "localhost" "/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/utility-mpi-test" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/UtilityMpiUnitTests.xml" 4: Test timeout computed to be: 30 4: [==========] Running 2 tests from 1 test case. 4: [----------] Global test environment set-up. 4: [----------] 2 tests from PhysicalNodeCommunicatorTest 4: [ RUN ] PhysicalNodeCommunicatorTest.CanConstruct 4: [ OK ] PhysicalNodeCommunicatorTest.CanConstruct (1 ms) 4: [ RUN ] PhysicalNodeCommunicatorTest.CanCallBarrier 4: [ OK ] PhysicalNodeCommunicatorTest.CanCallBarrier (0 ms) 4: [----------] 2 tests from PhysicalNodeCommunicatorTest (1 ms total) 4: 4: [----------] Global test environment tear-down 4: [==========] 2 tests from 1 test case ran. (1 ms total) 4: [ PASSED ] 2 tests. 4/30 Test #4: UtilityMpiUnitTests .............. Passed 0.90 sec test 5 Start 5: MdlibUnitTest 5: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/mdlib-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/MdlibUnitTest.xml" 5: Test timeout computed to be: 30 5: [==========] Running 187 tests from 13 test cases. 5: [----------] Global test environment set-up. 5: [----------] 1 test from VerletBufferConstraintTest 5: [ RUN ] VerletBufferConstraintTest.EqualMasses 5: [ OK ] VerletBufferConstraintTest.EqualMasses (0 ms) 5: [----------] 1 test from VerletBufferConstraintTest (0 ms total) 5: 5: [----------] 2 tests from PrEbinTest 5: [ RUN ] PrEbinTest.HandlesAverages 5: [ OK ] PrEbinTest.HandlesAverages (120 ms) 5: [ RUN ] PrEbinTest.HandlesEmptyAverages 5: [ OK ] PrEbinTest.HandlesEmptyAverages (0 ms) 5: [----------] 2 tests from PrEbinTest (120 ms total) 5: 5: [----------] 4 tests from ShakeTest 5: [ RUN ] ShakeTest.ConstrainsOneBond 5: [ OK ] ShakeTest.ConstrainsOneBond (0 ms) 5: [ RUN ] ShakeTest.ConstrainsTwoDisjointBonds 5: [ OK ] ShakeTest.ConstrainsTwoDisjointBonds (0 ms) 5: [ RUN ] ShakeTest.ConstrainsTwoBondsWithACommonAtom 5: [ OK ] ShakeTest.ConstrainsTwoBondsWithACommonAtom (0 ms) 5: [ RUN ] ShakeTest.ConstrainsThreeBondsWithCommonAtoms 5: [ OK ] ShakeTest.ConstrainsThreeBondsWithCommonAtoms (0 ms) 5: [----------] 4 tests from ShakeTest (0 ms total) 5: 5: [----------] 1 test from NullSignalTest 5: [ RUN ] NullSignalTest.NullSignallerWorks 5: [ OK ] NullSignalTest.NullSignallerWorks (0 ms) 5: [----------] 1 test from NullSignalTest (0 ms total) 5: 5: [----------] 7 tests from SignalTest 5: [ RUN ] SignalTest.NoSignalPropagatesIfNoSignallingTakesPlace 5: [ OK ] SignalTest.NoSignalPropagatesIfNoSignallingTakesPlace (0 ms) 5: [ RUN ] SignalTest.LocalIntraSimSignalPropagatesWhenIntraSimSignalTakesPlace 5: [ OK ] SignalTest.LocalIntraSimSignalPropagatesWhenIntraSimSignalTakesPlace (0 ms) 5: [ RUN ] SignalTest.LocalIntraSimSignalPropagatesWhenInterSimTakesPlace 5: [ OK ] SignalTest.LocalIntraSimSignalPropagatesWhenInterSimTakesPlace (0 ms) 5: [ RUN ] SignalTest.LocalIntraSimSignalPropagatesWhenBothTakePlace 5: [ OK ] SignalTest.LocalIntraSimSignalPropagatesWhenBothTakePlace (0 ms) 5: [ RUN ] SignalTest.NonLocalSignalDoesntPropagateWhenIntraSimSignalTakesPlace 5: [ OK ] SignalTest.NonLocalSignalDoesntPropagateWhenIntraSimSignalTakesPlace (0 ms) 5: [ RUN ] SignalTest.NonLocalSignalPropagatesWhenInterSimSignalTakesPlace 5: [ OK ] SignalTest.NonLocalSignalPropagatesWhenInterSimSignalTakesPlace (0 ms) 5: [ RUN ] SignalTest.NonLocalSignalPropagatesWhenBothTakePlace 5: [ OK ] SignalTest.NonLocalSignalPropagatesWhenBothTakePlace (0 ms) 5: [----------] 7 tests from SignalTest (0 ms total) 5: 5: [----------] 9 tests from UpdateGroups 5: [ RUN ] UpdateGroups.ethaneUA 5: [ OK ] UpdateGroups.ethaneUA (0 ms) 5: [ RUN ] UpdateGroups.methane 5: [ OK ] UpdateGroups.methane (0 ms) 5: [ RUN ] UpdateGroups.ethane 5: [ OK ] UpdateGroups.ethane (0 ms) 5: [ RUN ] UpdateGroups.butaneUA 5: [ OK ] UpdateGroups.butaneUA (0 ms) 5: [ RUN ] UpdateGroups.waterThreeSite 5: [ OK ] UpdateGroups.waterThreeSite (0 ms) 5: [ RUN ] UpdateGroups.waterFourSite 5: [ OK ] UpdateGroups.waterFourSite (0 ms) 5: [ RUN ] UpdateGroups.fourAtomsWithSettle 5: [ OK ] UpdateGroups.fourAtomsWithSettle (0 ms) 5: [ RUN ] UpdateGroups.waterFlexAngle 5: [ OK ] UpdateGroups.waterFlexAngle (0 ms) 5: [ RUN ] UpdateGroups.twoMoltypes 5: [ OK ] UpdateGroups.twoMoltypes (0 ms) 5: [----------] 9 tests from UpdateGroups (0 ms total) 5: 5: [----------] 1 test from UpdateGroupsCog 5: [ RUN ] UpdateGroupsCog.ComputesCogs 5: [ OK ] UpdateGroupsCog.ComputesCogs (1 ms) 5: [----------] 1 test from UpdateGroupsCog (1 ms total) 5: 5: [----------] 84 tests from WithParameters/ConstraintsTest 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/0 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/1 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/2 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.SingleConstraint/3 5: [ OK ] WithParameters/ConstraintsTest.SingleConstraint/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/5 (1 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TwoDisjointConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.TwoDisjointConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/8 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/9 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/10 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/11 5: [ OK ] WithParameters/ConstraintsTest.ThreeSequentialConstraints/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/0 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/1 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/2 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/3 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/4 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/5 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/6 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/7 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/8 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/9 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/10 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/11 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/12 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/12 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/13 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/13 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/14 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/14 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/15 5: [ OK ] WithParameters/ConstraintsTest.ThreeConstraintsWithCentralAtom/15 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/8 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/9 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/10 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/11 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/12 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/12 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/13 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/13 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/14 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/14 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/15 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/15 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/16 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/16 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/17 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/17 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/18 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/18 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.FourSequentialConstraints/19 5: [ OK ] WithParameters/ConstraintsTest.FourSequentialConstraints/19 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/0 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/0 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/1 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/1 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/2 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/2 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/3 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/3 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/4 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/4 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/5 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/5 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/6 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/6 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/7 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/7 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/8 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/8 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/9 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/9 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/10 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/10 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/11 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/11 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/12 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/12 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/13 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/13 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/14 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/14 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/15 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/15 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/16 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/16 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/17 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/17 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/18 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/18 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/19 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/19 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/20 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/20 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/21 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/21 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/22 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/22 (0 ms) 5: [ RUN ] WithParameters/ConstraintsTest.TriangleOfConstraints/23 5: [ OK ] WithParameters/ConstraintsTest.TriangleOfConstraints/23 (0 ms) 5: [----------] 84 tests from WithParameters/ConstraintsTest (3 ms total) 5: 5: [----------] 11 tests from WithParameters/EnergyOutputTest 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/0 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_0.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/0 (103 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/1 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_1.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/1 (100 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/2 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_2.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/2 (121 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/3 5: [ OK ] WithParameters/EnergyOutputTest.CheckOutput/3 (1 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/4 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_4.edr as single precision energy file 5: Reading energy frame 0 time 10.100 Reading energy frame 1 time 27.500 Reading energy frame 2 time 44.900 Reading energy frame 3 time 62.300 Reading energy frame 4 time 79.700 Reading energy frame 5 time 97.100 Reading energy frame 6 time 114.500 Reading energy frame 7 time 131.900 Reading energy frame 8 time 149.300 Reading energy frame 9 time 166.700 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/4 (26 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/5 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_5.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/5 (4 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/6 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_6.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/6 (7 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/7 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_7.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/7 (53 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/8 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_8.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/8 (13 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/9 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_9.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/9 (3 ms) 5: [ RUN ] WithParameters/EnergyOutputTest.CheckOutput/10 5: Opened /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/src/gromacs/mdlib/tests/Testing/Temporary/WithParameters_EnergyOutputTest_CheckOutput_10.edr as single precision energy file 5: Reading energy frame 0 time 10.100 [ OK ] WithParameters/EnergyOutputTest.CheckOutput/10 (5 ms) 5: [----------] 11 tests from WithParameters/EnergyOutputTest (440 ms total) 5: 5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/0 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/1 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/1 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/2 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/2 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/3 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/3 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/4 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/4 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/5 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/5 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/6 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/6 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/7 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.UnknownCalculationModeThrows/7 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/0 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/0 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/1 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/1 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/2 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/2 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/3 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/3 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/4 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/4 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/5 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/5 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/6 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/6 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/7 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.KnownCalculationModeDoesNotThrow/7 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/0 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/0 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/1 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/1 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/2 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/2 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/3 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/3 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/4 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/4 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/5 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/5 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/6 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/6 (0 ms) 5: [ RUN ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/7 5: [ OK ] SimpleTests/CalculateAcceptanceWeightSimple.BarkerAndMinVarAreIdentical/7 (0 ms) 5: [----------] 24 tests from SimpleTests/CalculateAcceptanceWeightSimple (0 ms total) 5: 5: [----------] 14 tests from RegressionTests/CalculateAcceptanceWeightRangeRegression 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/0 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/0 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/1 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/1 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/2 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/2 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/3 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/3 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/4 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/4 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/5 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/5 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/6 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/6 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/7 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/7 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/8 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/8 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/9 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/9 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/10 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/10 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/11 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/11 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/12 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/12 (0 ms) 5: [ RUN ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/13 5: [ OK ] RegressionTests/CalculateAcceptanceWeightRangeRegression.ValuesMatch/13 (0 ms) 5: [----------] 14 tests from RegressionTests/CalculateAcceptanceWeightRangeRegression (0 ms total) 5: 5: [----------] 16 tests from WithParameters/LeapFrogTest 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/0 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/0 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/1 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/1 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/2 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/2 (1 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/3 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/3 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/4 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/4 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/5 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/5 (1 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/6 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/6 (57 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/7 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/7 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/8 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/8 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/9 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/9 (0 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/10 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/10 (2 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/11 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/11 (2 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/12 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/12 (3 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/13 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/13 (51 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/14 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/14 (64 ms) 5: [ RUN ] WithParameters/LeapFrogTest.SimpleIntegration/15 5: [ OK ] WithParameters/LeapFrogTest.SimpleIntegration/15 (2 ms) 5: [----------] 16 tests from WithParameters/LeapFrogTest (189 ms total) 5: 5: [----------] 13 tests from WithParameters/SettleTest 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/0 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/0 (0 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/1 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/1 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/2 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/2 (0 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/3 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/3 (0 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/4 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/4 (0 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/5 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/5 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/6 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/6 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/7 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/7 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/8 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/8 (2 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/9 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/9 (2 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/10 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/10 (1 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/11 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/11 (2 ms) 5: [ RUN ] WithParameters/SettleTest.SatisfiesConstraints/12 5: [ OK ] WithParameters/SettleTest.SatisfiesConstraints/12 (2 ms) 5: [----------] 13 tests from WithParameters/SettleTest (16 ms total) 5: 5: [----------] Global test environment tear-down 5: [==========] 187 tests from 13 test cases ran. (770 ms total) 5: [ PASSED ] 187 tests. 5/30 Test #5: MdlibUnitTest .................... Passed 1.44 sec test 6 Start 6: AppliedForcesUnitTest 6: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/applied_forces-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/AppliedForcesUnitTest.xml" 6: Test timeout computed to be: 30 6: [==========] Running 20 tests from 4 test cases. 6: [----------] Global test environment set-up. 6: [----------] 2 tests from DensityFittingTest 6: [ RUN ] DensityFittingTest.ForceProviderLackingInputThrows 6: [ OK ] DensityFittingTest.ForceProviderLackingInputThrows (1 ms) 6: [ RUN ] DensityFittingTest.SingleAtom 6: [ OK ] DensityFittingTest.SingleAtom (0 ms) 6: [----------] 2 tests from DensityFittingTest (1 ms total) 6: 6: [----------] 8 tests from DensityFittingOptionsTest 6: [ RUN ] DensityFittingOptionsTest.DefaultParameters 6: [ OK ] DensityFittingOptionsTest.DefaultParameters (0 ms) 6: [ RUN ] DensityFittingOptionsTest.OptionSetsActive 6: [ OK ] DensityFittingOptionsTest.OptionSetsActive (0 ms) 6: [ RUN ] DensityFittingOptionsTest.OutputNoDefaultValuesWhenInactive 6: [ OK ] DensityFittingOptionsTest.OutputNoDefaultValuesWhenInactive (0 ms) 6: [ RUN ] DensityFittingOptionsTest.OutputDefaultValuesWhenActive 6: [ OK ] DensityFittingOptionsTest.OutputDefaultValuesWhenActive (1 ms) 6: [ RUN ] DensityFittingOptionsTest.CanConvertGroupStringToIndexGroup 6: [ OK ] DensityFittingOptionsTest.CanConvertGroupStringToIndexGroup (0 ms) 6: [ RUN ] DensityFittingOptionsTest.InternalsToKvt 6: [ OK ] DensityFittingOptionsTest.InternalsToKvt (0 ms) 6: [ RUN ] DensityFittingOptionsTest.KvtToInternal 6: [ OK ] DensityFittingOptionsTest.KvtToInternal (0 ms) 6: [ RUN ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent 6: [ OK ] DensityFittingOptionsTest.RoundTripForInternalsIsIdempotent (0 ms) 6: [----------] 8 tests from DensityFittingOptionsTest (1 ms total) 6: 6: [----------] 7 tests from DensityFittingAmplitudeLookupTest 6: [ RUN ] DensityFittingAmplitudeLookupTest.Unity 6: [ OK ] DensityFittingAmplitudeLookupTest.Unity (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.Charge 6: [ OK ] DensityFittingAmplitudeLookupTest.Charge (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.Masses 6: [ OK ] DensityFittingAmplitudeLookupTest.Masses (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanCopyAssign 6: [ OK ] DensityFittingAmplitudeLookupTest.CanCopyAssign (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanCopyConstruct 6: [ OK ] DensityFittingAmplitudeLookupTest.CanCopyConstruct (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanMoveAssign 6: [ OK ] DensityFittingAmplitudeLookupTest.CanMoveAssign (0 ms) 6: [ RUN ] DensityFittingAmplitudeLookupTest.CanMoveConstruct 6: [ OK ] DensityFittingAmplitudeLookupTest.CanMoveConstruct (0 ms) 6: [----------] 7 tests from DensityFittingAmplitudeLookupTest (0 ms total) 6: 6: [----------] 3 tests from ElectricFieldTest 6: [ RUN ] ElectricFieldTest.Static 6: [ OK ] ElectricFieldTest.Static (1 ms) 6: [ RUN ] ElectricFieldTest.Oscillating 6: [ OK ] ElectricFieldTest.Oscillating (0 ms) 6: [ RUN ] ElectricFieldTest.Pulsed 6: [ OK ] ElectricFieldTest.Pulsed (0 ms) 6: [----------] 3 tests from ElectricFieldTest (1 ms total) 6: 6: [----------] Global test environment tear-down 6: [==========] 20 tests from 4 test cases ran. (3 ms total) 6: [ PASSED ] 20 tests. 6/30 Test #6: AppliedForcesUnitTest ............ Passed 0.72 sec test 7 Start 7: CommandLineUnitTests 7: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/commandline-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/CommandLineUnitTests.xml" 7: Test timeout computed to be: 30 7: [==========] Running 59 tests from 7 test cases. 7: [----------] Global test environment set-up. 7: [----------] 3 tests from CommandLineHelpModuleTest 7: [ RUN ] CommandLineHelpModuleTest.PrintsGeneralHelp 7: [ OK ] CommandLineHelpModuleTest.PrintsGeneralHelp (1 ms) 7: [ RUN ] CommandLineHelpModuleTest.PrintsHelpOnTopic 7: [ OK ] CommandLineHelpModuleTest.PrintsHelpOnTopic (0 ms) 7: [ RUN ] CommandLineHelpModuleTest.ExportsHelp 7: [ OK ] CommandLineHelpModuleTest.ExportsHelp (1 ms) 7: [----------] 3 tests from CommandLineHelpModuleTest (3 ms total) 7: 7: [----------] 7 tests from CommandLineHelpWriterTest 7: [ RUN ] CommandLineHelpWriterTest.HandlesOptionTypes 7: [ OK ] CommandLineHelpWriterTest.HandlesOptionTypes (0 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables 7: [ OK ] CommandLineHelpWriterTest.HandlesDefaultValuesFromVariables (1 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesLongFileOptions 7: [ OK ] CommandLineHelpWriterTest.HandlesLongFileOptions (21 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesLongOptions 7: [ OK ] CommandLineHelpWriterTest.HandlesLongOptions (0 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesOptionGroups 7: [ OK ] CommandLineHelpWriterTest.HandlesOptionGroups (0 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesHelpText 7: [ OK ] CommandLineHelpWriterTest.HandlesHelpText (1 ms) 7: [ RUN ] CommandLineHelpWriterTest.HandlesKnownIssues 7: [ OK ] CommandLineHelpWriterTest.HandlesKnownIssues (0 ms) 7: [----------] 7 tests from CommandLineHelpWriterTest (23 ms total) 7: 7: [----------] 6 tests from CommandLineModuleManagerTest 7: [ RUN ] CommandLineModuleManagerTest.RunsModule 7: [ OK ] CommandLineModuleManagerTest.RunsModule (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelp 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelp (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelpAfterQuiet 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelpAfterQuiet (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelpWithDashH 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashH (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule 7: [ OK ] CommandLineModuleManagerTest.RunsModuleHelpWithDashHWithSingleModule (0 ms) 7: [ RUN ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames 7: [ OK ] CommandLineModuleManagerTest.HandlesConflictingBinaryAndModuleNames (0 ms) 7: [----------] 6 tests from CommandLineModuleManagerTest (1 ms total) 7: 7: [----------] 13 tests from CommandLineParserTest 7: [ RUN ] CommandLineParserTest.HandlesSingleValues 7: [ OK ] CommandLineParserTest.HandlesSingleValues (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesBooleanWithoutArgument 7: [ OK ] CommandLineParserTest.HandlesBooleanWithoutArgument (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesBooleanAsNoWithoutArgument 7: [ OK ] CommandLineParserTest.HandlesBooleanAsNoWithoutArgument (0 ms) 7: [ RUN ] CommandLineParserTest.ThrowsWithBooleanAsNoWithArgument 7: [ OK ] CommandLineParserTest.ThrowsWithBooleanAsNoWithArgument (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesNegativeNumbers 7: [ OK ] CommandLineParserTest.HandlesNegativeNumbers (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesString 7: [ OK ] CommandLineParserTest.HandlesString (1 ms) 7: [ RUN ] CommandLineParserTest.RejectsStringWithMultipleValues 7: [ OK ] CommandLineParserTest.RejectsStringWithMultipleValues (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesDoubleDashOptionPrefix 7: [ OK ] CommandLineParserTest.HandlesDoubleDashOptionPrefix (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesOptionsStartingWithNumbers 7: [ OK ] CommandLineParserTest.HandlesOptionsStartingWithNumbers (0 ms) 7: [ RUN ] CommandLineParserTest.HandlesSkipUnknown 7: [ OK ] CommandLineParserTest.HandlesSkipUnknown (0 ms) 7: [ RUN ] CommandLineParserTest.RejectsPositionalArgumentsByDefault 7: [ OK ] CommandLineParserTest.RejectsPositionalArgumentsByDefault (0 ms) 7: [ RUN ] CommandLineParserTest.CanAllowPositionalArguments 7: [ OK ] CommandLineParserTest.CanAllowPositionalArguments (0 ms) 7: [ RUN ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions 7: [ OK ] CommandLineParserTest.CannotHavePositionalArgumentsAfterOptions (0 ms) 7: [----------] 13 tests from CommandLineParserTest (1 ms total) 7: 7: [----------] 6 tests from CommandLineProgramContextTest 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryWithAbsolutePath 7: [ OK ] CommandLineProgramContextTest.FindsBinaryWithAbsolutePath (67 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryWithRelativePath 7: [ OK ] CommandLineProgramContextTest.FindsBinaryWithRelativePath (0 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromPath 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromPath (0 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromCurrentDirectory 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromCurrentDirectory (0 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromAbsoluteSymLink 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromAbsoluteSymLink (1 ms) 7: [ RUN ] CommandLineProgramContextTest.FindsBinaryFromRelativeSymLink 7: [ OK ] CommandLineProgramContextTest.FindsBinaryFromRelativeSymLink (0 ms) 7: [----------] 6 tests from CommandLineProgramContextTest (68 ms total) 7: 7: [----------] 3 tests from OutputNamesTest 7: [ RUN ] OutputNamesTest.CanBeSuffixed 7: [ OK ] OutputNamesTest.CanBeSuffixed (0 ms) 7: [ RUN ] OutputNamesTest.HasSuffixFromNoAppend 7: [ OK ] OutputNamesTest.HasSuffixFromNoAppend (0 ms) 7: [ RUN ] OutputNamesTest.CanHavePartNumberAdded 7: [ OK ] OutputNamesTest.CanHavePartNumberAdded (0 ms) 7: [----------] 3 tests from OutputNamesTest (0 ms total) 7: 7: [----------] 21 tests from ParseCommonArgsTest 7: [ RUN ] ParseCommonArgsTest.ParsesIntegerArgs 7: [ OK ] ParseCommonArgsTest.ParsesIntegerArgs (1 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesInt64Args 7: [ OK ] ParseCommonArgsTest.ParsesInt64Args (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesRealArgs 7: [ OK ] ParseCommonArgsTest.ParsesRealArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesStringArgs 7: [ OK ] ParseCommonArgsTest.ParsesStringArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesBooleanArgs 7: [ OK ] ParseCommonArgsTest.ParsesBooleanArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesVectorArgs 7: [ OK ] ParseCommonArgsTest.ParsesVectorArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesTimeArgs 7: [ OK ] ParseCommonArgsTest.ParsesTimeArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesTimeArgsWithTimeUnit 7: [ OK ] ParseCommonArgsTest.ParsesTimeArgsWithTimeUnit (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesEnumArgs 7: [ OK ] ParseCommonArgsTest.ParsesEnumArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesFileArgs 7: [ OK ] ParseCommonArgsTest.ParsesFileArgs (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesFileArgsWithDefaults 7: [ OK ] ParseCommonArgsTest.ParsesFileArgsWithDefaults (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParsesFileArgsWithDefaultFileName 7: [ OK ] ParseCommonArgsTest.ParsesFileArgsWithDefaultFileName (0 ms) 7: [ RUN ] ParseCommonArgsTest.ParseFileArgsWithCustomDefaultExtension 7: [ OK ] ParseCommonArgsTest.ParseFileArgsWithCustomDefaultExtension (0 ms) 7: [ RUN ] ParseCommonArgsTest.HandlesNonExistentInputFiles 7: [ OK ] ParseCommonArgsTest.HandlesNonExistentInputFiles (0 ms) 7: [ RUN ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles 7: [ OK ] ParseCommonArgsTest.HandlesNonExistentOptionalInputFiles (1 ms) 7: [ RUN ] ParseCommonArgsTest.AcceptsNonExistentInputFilesIfSpecified 7: [ OK ] ParseCommonArgsTest.AcceptsNonExistentInputFilesIfSpecified (0 ms) 7: [ RUN ] ParseCommonArgsTest.HandlesCompressedFiles 7: [ OK ] ParseCommonArgsTest.HandlesCompressedFiles (1 ms) 7: [ RUN ] ParseCommonArgsTest.AcceptsUnknownTrajectoryExtension 7: [ OK ] ParseCommonArgsTest.AcceptsUnknownTrajectoryExtension (0 ms) 7: [ RUN ] ParseCommonArgsTest.CompletesExtensionFromExistingFile 7: [ OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFile (2 ms) 7: [ RUN ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName 7: [ OK ] ParseCommonArgsTest.CompletesExtensionFromExistingFileWithDefaultFileName (1 ms) 7: [ RUN ] ParseCommonArgsTest.CanKeepUnknownArgs 7: [ OK ] ParseCommonArgsTest.CanKeepUnknownArgs (0 ms) 7: [----------] 21 tests from ParseCommonArgsTest (6 ms total) 7: 7: [----------] Global test environment tear-down 7: [==========] 59 tests from 7 test cases ran. (102 ms total) 7: [ PASSED ] 59 tests. 7/30 Test #7: CommandLineUnitTests ............. Passed 0.84 sec test 8 Start 8: DomDecTests 8: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/domdec-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/DomDecTests.xml" 8: Test timeout computed to be: 30 8: [==========] Running 9 tests from 2 test cases. 8: [----------] Global test environment set-up. 8: [----------] 7 tests from HashedMap 8: [ RUN ] HashedMap.InsertsFinds 8: [ OK ] HashedMap.InsertsFinds (0 ms) 8: [ RUN ] HashedMap.NegativeKeysWork 8: [ OK ] HashedMap.NegativeKeysWork (0 ms) 8: [ RUN ] HashedMap.InsertsErases 8: [ OK ] HashedMap.InsertsErases (0 ms) 8: [ RUN ] HashedMap.InsertsOrAssigns 8: [ OK ] HashedMap.InsertsOrAssigns (0 ms) 8: [ RUN ] HashedMap.Clears 8: [ OK ] HashedMap.Clears (0 ms) 8: [ RUN ] HashedMap.LinkedEntries 8: [ OK ] HashedMap.LinkedEntries (0 ms) 8: [ RUN ] HashedMap.ResizesTable 8: [ OK ] HashedMap.ResizesTable (0 ms) 8: [----------] 7 tests from HashedMap (0 ms total) 8: 8: [----------] 2 tests from LocalAtomSetManager 8: [ RUN ] LocalAtomSetManager.CanAddEmptyLocalAtomSet 8: [ OK ] LocalAtomSetManager.CanAddEmptyLocalAtomSet (0 ms) 8: [ RUN ] LocalAtomSetManager.CanAddandReadLocalAtomSetIndices 8: [ OK ] LocalAtomSetManager.CanAddandReadLocalAtomSetIndices (0 ms) 8: [----------] 2 tests from LocalAtomSetManager (1 ms total) 8: 8: [----------] Global test environment tear-down 8: [==========] 9 tests from 2 test cases ran. (1 ms total) 8: [ PASSED ] 9 tests. 8/30 Test #8: DomDecTests ...................... Passed 0.67 sec test 9 Start 9: EwaldUnitTests 9: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/ewald-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/EwaldUnitTests.xml" 9: Test timeout computed to be: 30 9: [==========] Running 257 tests from 10 test cases. 9: [----------] Global test environment set-up. 9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/0 (0 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/1 (0 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/2 (0 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/3 (4 ms) 9: [ RUN ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4 9: [ OK ] InsaneInput/PmeBSplineModuliFailureTest.Throws/4 (0 ms) 9: [----------] 5 tests from InsaneInput/PmeBSplineModuliFailureTest (4 ms total) 9: 9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/0 (3 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/1 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/2 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/3 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/4 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/5 (1 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/6 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/7 (1 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/8 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/9 (1 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/10 (1 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/11 (1 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/12 (9 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/13 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/14 (1 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/15 (1 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/16 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/17 (3 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/18 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/19 (1 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/20 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/21 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/22 (2 ms) 9: [ RUN ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 9: [ OK ] SaneInput1/PmeBSplineModuliCorrectnessTest.ReproducesValues/23 (2 ms) 9: [----------] 24 tests from SaneInput1/PmeBSplineModuliCorrectnessTest (53 ms total) 9: 9: [----------] 144 tests from SaneInput/PmeGatherTest 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/0 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/0 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/1 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/1 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/2 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/2 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/3 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/3 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/4 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/4 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/5 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/5 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/6 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/6 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/7 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/7 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/8 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/8 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/9 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/9 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/10 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/10 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/11 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/11 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/12 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/12 (9 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/13 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/13 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/14 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/14 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/15 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/15 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/16 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/16 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/17 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/17 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/18 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/18 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/19 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/19 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/20 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/20 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/21 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/21 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/22 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/22 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/23 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/23 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/24 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/24 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/25 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/25 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/26 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/26 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/27 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/27 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/28 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/28 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/29 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/29 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/30 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/30 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/31 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/31 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/32 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/32 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/33 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/33 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/34 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/34 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/35 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/35 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/36 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/36 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/37 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/37 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/38 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/38 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/39 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/39 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/40 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/40 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/41 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/41 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/42 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/42 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/43 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/43 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/44 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/44 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/45 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/45 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/46 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/46 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/47 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/47 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/48 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/48 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/49 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/49 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/50 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/50 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/51 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/51 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/52 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/52 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/53 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/53 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/54 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/54 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/55 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/55 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/56 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/56 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/57 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/57 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/58 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/58 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/59 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/59 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/60 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/60 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/61 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/61 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/62 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/62 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/63 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/63 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/64 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/64 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/65 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/65 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/66 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/66 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/67 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/67 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/68 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/68 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/69 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/69 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/70 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/70 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/71 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/71 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/72 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/72 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/73 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/73 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/74 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/74 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/75 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/75 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/76 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/76 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/77 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/77 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/78 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/78 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/79 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/79 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/80 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/80 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/81 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/81 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/82 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/82 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/83 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/83 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/84 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/84 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/85 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/85 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/86 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/86 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/87 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/87 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/88 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/88 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/89 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/89 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/90 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/90 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/91 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/91 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/92 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/92 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/93 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/93 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/94 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/94 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/95 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/95 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/96 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/96 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/97 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/97 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/98 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/98 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/99 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/99 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/100 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/100 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/101 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/101 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/102 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/102 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/103 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/103 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/104 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/104 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/105 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/105 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/106 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/106 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/107 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/107 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/108 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/108 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/109 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/109 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/110 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/110 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/111 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/111 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/112 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/112 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/113 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/113 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/114 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/114 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/115 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/115 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/116 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/116 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/117 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/117 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/118 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/118 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/119 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/119 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/120 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/120 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/121 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/121 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/122 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/122 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/123 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/123 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/124 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/124 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/125 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/125 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/126 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/126 (22 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/127 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/127 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/128 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/128 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/129 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/129 (26 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/130 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/130 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/131 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/131 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/132 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/132 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/133 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/133 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/134 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/134 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/135 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/135 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/136 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/136 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/137 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/137 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/138 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/138 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/139 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/139 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/140 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/140 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/141 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/141 (1 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/142 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/142 (0 ms) 9: [ RUN ] SaneInput/PmeGatherTest.ReproducesOutputs/143 9: [ OK ] SaneInput/PmeGatherTest.ReproducesOutputs/143 (0 ms) 9: [----------] 144 tests from SaneInput/PmeGatherTest (124 ms total) 9: 9: [----------] 16 tests from SaneInput/PmeSolveTest 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/0 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/1 (36 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/2 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/3 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/4 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/5 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/6 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/7 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/8 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/8 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/9 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/9 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/10 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/10 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/11 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/11 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/12 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/12 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/13 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/13 (2 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/14 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/14 (1 ms) 9: [ RUN ] SaneInput/PmeSolveTest.ReproducesOutputs/15 9: [ OK ] SaneInput/PmeSolveTest.ReproducesOutputs/15 (2 ms) 9: [----------] 16 tests from SaneInput/PmeSolveTest (60 ms total) 9: 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/0 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/1 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/2 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/3 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/4 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/5 (2 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/6 (1 ms) 9: [ RUN ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] DifferentEwaldCoeffQ/PmeSolveTest.ReproducesOutputs/7 (1 ms) 9: [----------] 8 tests from DifferentEwaldCoeffQ/PmeSolveTest (10 ms total) 9: 9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/0 (3 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/1 (2 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/2 (2 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/3 (2 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/4 (2 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/5 (2 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/6 (2 ms) 9: [ RUN ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] DifferentEwaldCoeffLJ/PmeSolveTest.ReproducesOutputs/7 (132 ms) 9: [----------] 8 tests from DifferentEwaldCoeffLJ/PmeSolveTest (147 ms total) 9: 9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/0 (55 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/1 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/2 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/3 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/4 (1 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/5 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/5 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/6 (81 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/7 (5 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/8 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/9 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/10 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/11 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/12 (87 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/13 (2 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/14 (0 ms) 9: [ RUN ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 9: [ OK ] DifferentEpsilonR/PmeSolveTest.ReproducesOutputs/15 (1 ms) 9: [----------] 16 tests from DifferentEpsilonR/PmeSolveTest (249 ms total) 9: 9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/0 (1 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/1 (4 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/2 (2 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/3 (2 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/4 (30 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/5 (19 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/6 (2 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/7 (1 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/8 (2 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/9 (1 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/10 (2 ms) 9: [ RUN ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 9: [ OK ] SaneInput1/PmeSplineAndSpreadTest.ReproducesOutputs/11 (2 ms) 9: [----------] 12 tests from SaneInput1/PmeSplineAndSpreadTest (69 ms total) 9: 9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/0 (37 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/1 (2 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/2 (2 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/3 (2 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/4 (3 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/5 (27 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/6 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/6 (2 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/7 (1 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/8 (32 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/9 (8 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/10 (2 ms) 9: [ RUN ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11 9: [ OK ] SaneInput2/PmeSplineAndSpreadTest.ReproducesOutputs/11 (58 ms) 9: [----------] 12 tests from SaneInput2/PmeSplineAndSpreadTest (178 ms total) 9: 9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/0 (20 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/1 (29 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/2 (19 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/3 (10 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/4 (20 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/5 (18 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/6 (11 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/7 (20 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/8 (37 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/9 (78 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/10 (78 ms) 9: [ RUN ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 9: [ OK ] SaneInput13/PmeSplineAndSpreadTest.ReproducesOutputs/11 (33 ms) 9: [----------] 12 tests from SaneInput13/PmeSplineAndSpreadTest (379 ms total) 9: 9: [----------] Global test environment tear-down 9: [==========] 257 tests from 10 test cases ran. (1356 ms total) 9: [ PASSED ] 257 tests. 9/30 Test #9: EwaldUnitTests ................... Passed 2.06 sec test 10 Start 10: FFTUnitTests 10: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/fft-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/FFTUnitTests.xml" 10: Test timeout computed to be: 30 10: [==========] Running 14 tests from 4 test cases. 10: [----------] Global test environment set-up. 10: [----------] 2 tests from ManyFFTTest 10: [ RUN ] ManyFFTTest.Complex1DLength48Multi5Test 10: [ OK ] ManyFFTTest.Complex1DLength48Multi5Test (18 ms) 10: [ RUN ] ManyFFTTest.Real1DLength48Multi5Test 10: [ OK ] ManyFFTTest.Real1DLength48Multi5Test (57 ms) 10: [----------] 2 tests from ManyFFTTest (76 ms total) 10: 10: [----------] 1 test from FFTTest 10: [ RUN ] FFTTest.Real2DLength18_15Test 10: [ OK ] FFTTest.Real2DLength18_15Test (31 ms) 10: [----------] 1 test from FFTTest (32 ms total) 10: 10: [----------] 1 test from FFFTest3D 10: [ RUN ] FFFTest3D.Real5_6_9 10: [ OK ] FFFTest3D.Real5_6_9 (62 ms) 10: [----------] 1 test from FFFTest3D (62 ms total) 10: 10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/0 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/0 (99 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/1 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/1 (1 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/2 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/2 (3 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/3 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/3 (8 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Complex/4 10: [ OK ] 7_8_25_36_60/FFTTest1D.Complex/4 (3 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/0 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/0 (1 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/1 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/1 (1 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/2 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/2 (1 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/3 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/3 (25 ms) 10: [ RUN ] 7_8_25_36_60/FFTTest1D.Real/4 10: [ OK ] 7_8_25_36_60/FFTTest1D.Real/4 (33 ms) 10: [----------] 10 tests from 7_8_25_36_60/FFTTest1D (176 ms total) 10: 10: [----------] Global test environment tear-down 10: [==========] 14 tests from 4 test cases ran. (347 ms total) 10: [ PASSED ] 14 tests. 10/30 Test #10: FFTUnitTests ..................... Passed 1.14 sec test 11 Start 11: GpuUtilsUnitTests 11: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/gpu_utils-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/GpuUtilsUnitTests.xml" 11: Test timeout computed to be: 30 11: [==========] Running 62 tests from 20 test cases. 11: [----------] Global test environment set-up. 11: [----------] 2 tests from ClfftInitializer 11: [ RUN ] ClfftInitializer.SingleInitializationWorks 11: [ OK ] ClfftInitializer.SingleInitializationWorks (0 ms) 11: [ RUN ] ClfftInitializer.TwoInitializationsWork 11: [ OK ] ClfftInitializer.TwoInitializationsWork (0 ms) 11: [----------] 2 tests from ClfftInitializer (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/0, where TypeParam = int 11: [ RUN ] HostAllocatorTest/0.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/0.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/0.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/0.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/0 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/1, where TypeParam = float 11: [ RUN ] HostAllocatorTest/1.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/1.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/1.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/1.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/1 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTest/2.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/2.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/2.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/2.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/2 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTest/3, where TypeParam = gmx::test::MoveOnly 11: [ RUN ] HostAllocatorTest/3.EmptyMemoryAlwaysWorks 11: [ OK ] HostAllocatorTest/3.EmptyMemoryAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTest/3.StatefulAllocatorUsesMemory 11: [ OK ] HostAllocatorTest/3.StatefulAllocatorUsesMemory (0 ms) 11: [----------] 2 tests from HostAllocatorTest/3 (0 ms total) 11: 11: [----------] 3 tests from HostAllocatorTestCopyable/0, where TypeParam = int 11: [ RUN ] HostAllocatorTestCopyable/0.VectorsWithDefaultHostAllocatorAlwaysWorks 11: [ OK ] HostAllocatorTestCopyable/0.VectorsWithDefaultHostAllocatorAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/0.TransfersWithoutPinningWork 11: [ OK ] HostAllocatorTestCopyable/0.TransfersWithoutPinningWork (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/0.FillInputAlsoWorksAfterCallingReserve 11: [ OK ] HostAllocatorTestCopyable/0.FillInputAlsoWorksAfterCallingReserve (0 ms) 11: [----------] 3 tests from HostAllocatorTestCopyable/0 (0 ms total) 11: 11: [----------] 3 tests from HostAllocatorTestCopyable/1, where TypeParam = float 11: [ RUN ] HostAllocatorTestCopyable/1.VectorsWithDefaultHostAllocatorAlwaysWorks 11: [ OK ] HostAllocatorTestCopyable/1.VectorsWithDefaultHostAllocatorAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/1.TransfersWithoutPinningWork 11: [ OK ] HostAllocatorTestCopyable/1.TransfersWithoutPinningWork (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/1.FillInputAlsoWorksAfterCallingReserve 11: [ OK ] HostAllocatorTestCopyable/1.FillInputAlsoWorksAfterCallingReserve (1 ms) 11: [----------] 3 tests from HostAllocatorTestCopyable/1 (1 ms total) 11: 11: [----------] 3 tests from HostAllocatorTestCopyable/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTestCopyable/2.VectorsWithDefaultHostAllocatorAlwaysWorks 11: [ OK ] HostAllocatorTestCopyable/2.VectorsWithDefaultHostAllocatorAlwaysWorks (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/2.TransfersWithoutPinningWork 11: [ OK ] HostAllocatorTestCopyable/2.TransfersWithoutPinningWork (0 ms) 11: [ RUN ] HostAllocatorTestCopyable/2.FillInputAlsoWorksAfterCallingReserve 11: [ OK ] HostAllocatorTestCopyable/2.FillInputAlsoWorksAfterCallingReserve (0 ms) 11: [----------] 3 tests from HostAllocatorTestCopyable/2 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/0, where TypeParam = int 11: [ RUN ] HostAllocatorTestNoMem/0.CreateVector 11: [ OK ] HostAllocatorTestNoMem/0.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/0.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/0.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.Swap 11: [ OK ] HostAllocatorTestNoMem/0.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/0.Comparison 11: [ OK ] HostAllocatorTestNoMem/0.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/0 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/1, where TypeParam = float 11: [ RUN ] HostAllocatorTestNoMem/1.CreateVector 11: [ OK ] HostAllocatorTestNoMem/1.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/1.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/1.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.Swap 11: [ OK ] HostAllocatorTestNoMem/1.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/1.Comparison 11: [ OK ] HostAllocatorTestNoMem/1.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/1 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTestNoMem/2.CreateVector 11: [ OK ] HostAllocatorTestNoMem/2.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/2.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/2.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.Swap 11: [ OK ] HostAllocatorTestNoMem/2.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/2.Comparison 11: [ OK ] HostAllocatorTestNoMem/2.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/2 (0 ms total) 11: 11: [----------] 5 tests from HostAllocatorTestNoMem/3, where TypeParam = gmx::test::MoveOnly 11: [ RUN ] HostAllocatorTestNoMem/3.CreateVector 11: [ OK ] HostAllocatorTestNoMem/3.CreateVector (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.MoveAssignment 11: [ OK ] HostAllocatorTestNoMem/3.MoveAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.MoveConstruction 11: [ OK ] HostAllocatorTestNoMem/3.MoveConstruction (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.Swap 11: [ OK ] HostAllocatorTestNoMem/3.Swap (0 ms) 11: [ RUN ] HostAllocatorTestNoMem/3.Comparison 11: [ OK ] HostAllocatorTestNoMem/3.Comparison (0 ms) 11: [----------] 5 tests from HostAllocatorTestNoMem/3 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/0, where TypeParam = int 11: [ RUN ] HostAllocatorTestNoMemCopyable/0.CopyAssignment 11: [ OK ] HostAllocatorTestNoMemCopyable/0.CopyAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMemCopyable/0.CopyConstruction 11: [ OK ] HostAllocatorTestNoMemCopyable/0.CopyConstruction (0 ms) 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/0 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/1, where TypeParam = float 11: [ RUN ] HostAllocatorTestNoMemCopyable/1.CopyAssignment 11: [ OK ] HostAllocatorTestNoMemCopyable/1.CopyAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMemCopyable/1.CopyConstruction 11: [ OK ] HostAllocatorTestNoMemCopyable/1.CopyConstruction (0 ms) 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/1 (0 ms total) 11: 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/2, where TypeParam = gmx::BasicVector 11: [ RUN ] HostAllocatorTestNoMemCopyable/2.CopyAssignment 11: [ OK ] HostAllocatorTestNoMemCopyable/2.CopyAssignment (0 ms) 11: [ RUN ] HostAllocatorTestNoMemCopyable/2.CopyConstruction 11: [ OK ] HostAllocatorTestNoMemCopyable/2.CopyConstruction (0 ms) 11: [----------] 2 tests from HostAllocatorTestNoMemCopyable/2 (0 ms total) 11: 11: [----------] 1 test from HostAllocatorUntypedTest 11: [ RUN ] HostAllocatorUntypedTest.Comparison 11: [ OK ] HostAllocatorUntypedTest.Comparison (0 ms) 11: [----------] 1 test from HostAllocatorUntypedTest (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/0, where TypeParam = gmx::Allocator 11: [ RUN ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/0.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/0.VectorAllocatesAndResizesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/0.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/0.Move 11: [ OK ] AllocatorTest/0.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/0 (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/1, where TypeParam = gmx::Allocator 11: [ RUN ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/1.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/1.VectorAllocatesAndResizesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/1.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/1.Move 11: [ OK ] AllocatorTest/1.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/1 (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/2, where TypeParam = gmx::Allocator, gmx::HostAllocationPolicy> 11: [ RUN ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/2.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/2.VectorAllocatesAndResizesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/2.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/2.Move 11: [ OK ] AllocatorTest/2.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/2 (0 ms total) 11: 11: [----------] 4 tests from AllocatorTest/3, where TypeParam = gmx::Allocator 11: [ RUN ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment 11: [ OK ] AllocatorTest/3.AllocatorAlignAllocatesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment 11: [ OK ] AllocatorTest/3.VectorAllocatesAndResizesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment 11: [ OK ] AllocatorTest/3.VectorAllocatesAndReservesWithAlignment (0 ms) 11: [ RUN ] AllocatorTest/3.Move 11: [ OK ] AllocatorTest/3.Move (0 ms) 11: [----------] 4 tests from AllocatorTest/3 (0 ms total) 11: 11: [----------] Global test environment tear-down 11: [==========] 62 tests from 20 test cases ran. (1 ms total) 11: [ PASSED ] 62 tests. 11/30 Test #11: GpuUtilsUnitTests ................ Passed 0.70 sec test 12 Start 12: HardwareUnitTests 12: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/hardware-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/HardwareUnitTests.xml" 12: Test timeout computed to be: 30 12: [==========] Running 4 tests from 1 test case. 12: [----------] Global test environment set-up. 12: [----------] 4 tests from HardwareTopologyTest 12: [ RUN ] HardwareTopologyTest.Execute 12: [ OK ] HardwareTopologyTest.Execute (64 ms) 12: [ RUN ] HardwareTopologyTest.HwlocExecute 12: [ OK ] HardwareTopologyTest.HwlocExecute (48 ms) 12: [ RUN ] HardwareTopologyTest.ProcessorSelfconsistency 12: [ OK ] HardwareTopologyTest.ProcessorSelfconsistency (78 ms) 12: [ RUN ] HardwareTopologyTest.NumaCacheSelfconsistency 12: [ OK ] HardwareTopologyTest.NumaCacheSelfconsistency (70 ms) 12: [----------] 4 tests from HardwareTopologyTest (260 ms total) 12: 12: [----------] Global test environment tear-down 12: [==========] 4 tests from 1 test case ran. (260 ms total) 12: [ PASSED ] 4 tests. 12/30 Test #12: HardwareUnitTests ................ Passed 0.95 sec test 13 Start 13: MathUnitTests 13: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/math-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/MathUnitTests.xml" 13: Test timeout computed to be: 30 13: [==========] Running 204 tests from 29 test cases. 13: [----------] Global test environment set-up. 13: [----------] 1 test from EmptyArrayRefWithPaddingTest 13: [ RUN ] EmptyArrayRefWithPaddingTest.IsEmpty 13: [ OK ] EmptyArrayRefWithPaddingTest.IsEmpty (0 ms) 13: [----------] 1 test from EmptyArrayRefWithPaddingTest (0 ms total) 13: 13: [----------] 1 test from EmptyConstArrayRefWithPaddingTest 13: [ RUN ] EmptyConstArrayRefWithPaddingTest.IsEmpty 13: [ OK ] EmptyConstArrayRefWithPaddingTest.IsEmpty (0 ms) 13: [----------] 1 test from EmptyConstArrayRefWithPaddingTest (0 ms total) 13: 13: [----------] 2 tests from ArrayRefWithPaddingTest/0, where TypeParam = gmx::ArrayRefWithPadding 13: [ RUN ] ArrayRefWithPaddingTest/0.AssignFromPaddedVectorWorks 13: [ OK ] ArrayRefWithPaddingTest/0.AssignFromPaddedVectorWorks (0 ms) 13: [ RUN ] ArrayRefWithPaddingTest/0.ConstructFromPointersWorks 13: [ OK ] ArrayRefWithPaddingTest/0.ConstructFromPointersWorks (0 ms) 13: [----------] 2 tests from ArrayRefWithPaddingTest/0 (0 ms total) 13: 13: [----------] 2 tests from ArrayRefWithPaddingTest/1, where TypeParam = gmx::ArrayRefWithPadding 13: [ RUN ] ArrayRefWithPaddingTest/1.AssignFromPaddedVectorWorks 13: [ OK ] ArrayRefWithPaddingTest/1.AssignFromPaddedVectorWorks (0 ms) 13: [ RUN ] ArrayRefWithPaddingTest/1.ConstructFromPointersWorks 13: [ OK ] ArrayRefWithPaddingTest/1.ConstructFromPointersWorks (0 ms) 13: [----------] 2 tests from ArrayRefWithPaddingTest/1 (0 ms total) 13: 13: [----------] 2 tests from ArrayRefWithPaddingTest/2, where TypeParam = gmx::ArrayRefWithPadding 13: [ RUN ] ArrayRefWithPaddingTest/2.AssignFromPaddedVectorWorks 13: [ OK ] ArrayRefWithPaddingTest/2.AssignFromPaddedVectorWorks (0 ms) 13: [ RUN ] ArrayRefWithPaddingTest/2.ConstructFromPointersWorks 13: [ OK ] ArrayRefWithPaddingTest/2.ConstructFromPointersWorks (0 ms) 13: [----------] 2 tests from ArrayRefWithPaddingTest/2 (0 ms total) 13: 13: [----------] 8 tests from TranslateAndScaleTest 13: [ RUN ] TranslateAndScaleTest.identityTransformation 13: [ OK ] TranslateAndScaleTest.identityTransformation (0 ms) 13: [ RUN ] TranslateAndScaleTest.translationWithIdentityScaling 13: [ OK ] TranslateAndScaleTest.translationWithIdentityScaling (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingWithZeroTranslation 13: [ OK ] TranslateAndScaleTest.scalingWithZeroTranslation (0 ms) 13: [ RUN ] TranslateAndScaleTest.translationAndScalingNonTrivial 13: [ OK ] TranslateAndScaleTest.translationAndScalingNonTrivial (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingIdentity 13: [ OK ] TranslateAndScaleTest.scalingIdentity (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingNonTrivial 13: [ OK ] TranslateAndScaleTest.scalingNonTrivial (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingInverseNoZero 13: [ OK ] TranslateAndScaleTest.scalingInverseNoZero (0 ms) 13: [ RUN ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero 13: [ OK ] TranslateAndScaleTest.scalingInverseWithOneScaleDimensionZero (0 ms) 13: [----------] 8 tests from TranslateAndScaleTest (0 ms total) 13: 13: [----------] 12 tests from DensitySimilarityTest 13: [ RUN ] DensitySimilarityTest.InnerProductIsCorrect 13: [ OK ] DensitySimilarityTest.InnerProductIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.InnerProductGradientIsCorrect 13: [ OK ] DensitySimilarityTest.InnerProductGradientIsCorrect (1 ms) 13: [ RUN ] DensitySimilarityTest.GradientThrowsIfDensitiesDontMatch 13: [ OK ] DensitySimilarityTest.GradientThrowsIfDensitiesDontMatch (0 ms) 13: [ RUN ] DensitySimilarityTest.SimilarityThrowsIfDensitiesDontMatch 13: [ OK ] DensitySimilarityTest.SimilarityThrowsIfDensitiesDontMatch (0 ms) 13: [ RUN ] DensitySimilarityTest.CopiedMeasureInnerProductIsCorrect 13: [ OK ] DensitySimilarityTest.CopiedMeasureInnerProductIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.RelativeEntropyOfSameDensityIsZero 13: [ OK ] DensitySimilarityTest.RelativeEntropyOfSameDensityIsZero (0 ms) 13: [ RUN ] DensitySimilarityTest.RelativeEntropyIsCorrect 13: [ OK ] DensitySimilarityTest.RelativeEntropyIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect 13: [ OK ] DensitySimilarityTest.RelativeEntropyGradientIsCorrect (0 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationIsOne 13: [ OK ] DensitySimilarityTest.CrossCorrelationIsOne (76 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated 13: [ OK ] DensitySimilarityTest.CrossCorrelationIsMinusOneWhenAntiCorrelated (89 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated 13: [ OK ] DensitySimilarityTest.CrossCorrelationGradientIsZeroWhenCorrelated (54 ms) 13: [ RUN ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect 13: [ OK ] DensitySimilarityTest.CrossCorrelationGradientIsCorrect (0 ms) 13: [----------] 12 tests from DensitySimilarityTest (220 ms total) 13: 13: [----------] 6 tests from StructureSimilarityTest 13: [ RUN ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD 13: [ OK ] StructureSimilarityTest.StructureComparedToSelfHasZeroRMSD (0 ms) 13: [ RUN ] StructureSimilarityTest.StructureComparedToSelfHasZeroRho 13: [ OK ] StructureSimilarityTest.StructureComparedToSelfHasZeroRho (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRMSD 13: [ OK ] StructureSimilarityTest.YieldsCorrectRMSD (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRho 13: [ OK ] StructureSimilarityTest.YieldsCorrectRho (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRMSDWithIndex 13: [ OK ] StructureSimilarityTest.YieldsCorrectRMSDWithIndex (0 ms) 13: [ RUN ] StructureSimilarityTest.YieldsCorrectRhoWidthIndex 13: [ OK ] StructureSimilarityTest.YieldsCorrectRhoWidthIndex (0 ms) 13: [----------] 6 tests from StructureSimilarityTest (0 ms total) 13: 13: [----------] 8 tests from ExponentialMovingAverage 13: [ RUN ] ExponentialMovingAverage.ThrowsWhenLagTimeIsZero 13: [ OK ] ExponentialMovingAverage.ThrowsWhenLagTimeIsZero (0 ms) 13: [ RUN ] ExponentialMovingAverage.ThrowsWhenLagTimeIsNegative 13: [ OK ] ExponentialMovingAverage.ThrowsWhenLagTimeIsNegative (0 ms) 13: [ RUN ] ExponentialMovingAverage.LagTimeOneYieldsInstantaneousValue 13: [ OK ] ExponentialMovingAverage.LagTimeOneYieldsInstantaneousValue (0 ms) 13: [ RUN ] ExponentialMovingAverage.YieldsCorrectValue 13: [ OK ] ExponentialMovingAverage.YieldsCorrectValue (0 ms) 13: [ RUN ] ExponentialMovingAverage.SetAverageCorrectly 13: [ OK ] ExponentialMovingAverage.SetAverageCorrectly (0 ms) 13: [ RUN ] ExponentialMovingAverage.DeterminesCorrectlyIfIncreasing 13: [ OK ] ExponentialMovingAverage.DeterminesCorrectlyIfIncreasing (0 ms) 13: [ RUN ] ExponentialMovingAverage.InverseLagTimeCorrect 13: [ OK ] ExponentialMovingAverage.InverseLagTimeCorrect (0 ms) 13: [ RUN ] ExponentialMovingAverage.RoundTripAsKeyValueTree 13: [ OK ] ExponentialMovingAverage.RoundTripAsKeyValueTree (0 ms) 13: [----------] 8 tests from ExponentialMovingAverage (0 ms total) 13: 13: [----------] 21 tests from FunctionTest 13: [ RUN ] FunctionTest.StaticLog2 13: [ OK ] FunctionTest.StaticLog2 (1 ms) 13: [ RUN ] FunctionTest.Log2I32Bit 13: [ OK ] FunctionTest.Log2I32Bit (0 ms) 13: [ RUN ] FunctionTest.Log2I64Bit 13: [ OK ] FunctionTest.Log2I64Bit (0 ms) 13: [ RUN ] FunctionTest.GreatestCommonDivisor 13: [ OK ] FunctionTest.GreatestCommonDivisor (0 ms) 13: [ RUN ] FunctionTest.InvsqrtFloat 13: [ OK ] FunctionTest.InvsqrtFloat (0 ms) 13: [ RUN ] FunctionTest.InvsqrtDouble 13: [ OK ] FunctionTest.InvsqrtDouble (1 ms) 13: [ RUN ] FunctionTest.InvsqrtInteger 13: [ OK ] FunctionTest.InvsqrtInteger (0 ms) 13: [ RUN ] FunctionTest.InvcbrtFloat 13: [ OK ] FunctionTest.InvcbrtFloat (0 ms) 13: [ RUN ] FunctionTest.InvcbrtDouble 13: [ OK ] FunctionTest.InvcbrtDouble (0 ms) 13: [ RUN ] FunctionTest.InvcbrtInteger 13: [ OK ] FunctionTest.InvcbrtInteger (0 ms) 13: [ RUN ] FunctionTest.SixthrootFloat 13: [ OK ] FunctionTest.SixthrootFloat (1 ms) 13: [ RUN ] FunctionTest.SixthrootDouble 13: [ OK ] FunctionTest.SixthrootDouble (0 ms) 13: [ RUN ] FunctionTest.SixthrootInteger 13: [ OK ] FunctionTest.SixthrootInteger (0 ms) 13: [ RUN ] FunctionTest.InvsixthrootFloat 13: [ OK ] FunctionTest.InvsixthrootFloat (0 ms) 13: [ RUN ] FunctionTest.InvsixthrootDouble 13: [ OK ] FunctionTest.InvsixthrootDouble (1 ms) 13: [ RUN ] FunctionTest.InvsixthrootInteger 13: [ OK ] FunctionTest.InvsixthrootInteger (0 ms) 13: [ RUN ] FunctionTest.Powers 13: [ OK ] FunctionTest.Powers (0 ms) 13: [ RUN ] FunctionTest.ErfInvFloat 13: [ OK ] FunctionTest.ErfInvFloat (0 ms) 13: [ RUN ] FunctionTest.ErfInvDouble 13: [ OK ] FunctionTest.ErfInvDouble (0 ms) 13: [ RUN ] FunctionTest.ErfAndErfInvAreInversesFloat 13: [ OK ] FunctionTest.ErfAndErfInvAreInversesFloat (1 ms) 13: [ RUN ] FunctionTest.ErfAndErfInvAreInversesDouble 13: [ OK ] FunctionTest.ErfAndErfInvAreInversesDouble (0 ms) 13: [----------] 21 tests from FunctionTest (5 ms total) 13: 13: [----------] 4 tests from GaussianOn1DLattice 13: [ RUN ] GaussianOn1DLattice.sumsCloseToOne 13: [ OK ] GaussianOn1DLattice.sumsCloseToOne (0 ms) 13: [ RUN ] GaussianOn1DLattice.isCorrect 13: [ OK ] GaussianOn1DLattice.isCorrect (0 ms) 13: [ RUN ] GaussianOn1DLattice.complementaryAmplitudesSumToZero 13: [ OK ] GaussianOn1DLattice.complementaryAmplitudesSumToZero (0 ms) 13: [ RUN ] GaussianOn1DLattice.doesNotOverflowForLargeRange 13: [ OK ] GaussianOn1DLattice.doesNotOverflowForLargeRange (0 ms) 13: [----------] 4 tests from GaussianOn1DLattice (0 ms total) 13: 13: [----------] 9 tests from GaussTransformTest 13: [ RUN ] GaussTransformTest.isZeroUponConstruction 13: [ OK ] GaussTransformTest.isZeroUponConstruction (0 ms) 13: [ RUN ] GaussTransformTest.isZeroAddingZeroAmplitudeGauss 13: [ OK ] GaussTransformTest.isZeroAddingZeroAmplitudeGauss (0 ms) 13: [ RUN ] GaussTransformTest.isZeroAfterSettingZero 13: [ OK ] GaussTransformTest.isZeroAfterSettingZero (0 ms) 13: [ RUN ] GaussTransformTest.isZeroWhenOutsideRangeinX 13: [ OK ] GaussTransformTest.isZeroWhenOutsideRangeinX (0 ms) 13: [ RUN ] GaussTransformTest.isZeroWhenOutsideRangeinY 13: [ OK ] GaussTransformTest.isZeroWhenOutsideRangeinY (0 ms) 13: [ RUN ] GaussTransformTest.isZeroWhenOutsideRangeinZ 13: [ OK ] GaussTransformTest.isZeroWhenOutsideRangeinZ (0 ms) 13: [ RUN ] GaussTransformTest.complementaryGaussAddToZero 13: [ OK ] GaussTransformTest.complementaryGaussAddToZero (0 ms) 13: [ RUN ] GaussTransformTest.centerGaussianInCubeHasExpectedValues 13: [ OK ] GaussTransformTest.centerGaussianInCubeHasExpectedValues (0 ms) 13: [ RUN ] GaussTransformTest.view 13: [ OK ] GaussTransformTest.view (0 ms) 13: [----------] 9 tests from GaussTransformTest (1 ms total) 13: 13: [----------] 3 tests from DensityFittingForce 13: [ RUN ] DensityFittingForce.isZeroWhenMatchingDensity 13: [ OK ] DensityFittingForce.isZeroWhenMatchingDensity (0 ms) 13: [ RUN ] DensityFittingForce.isZeroWhenMismatchingSameAllDirections 13: [ OK ] DensityFittingForce.isZeroWhenMismatchingSameAllDirections (0 ms) 13: [ RUN ] DensityFittingForce.pullsTowardsDerivative 13: [ OK ] DensityFittingForce.pullsTowardsDerivative (0 ms) 13: [----------] 3 tests from DensityFittingForce (0 ms total) 13: 13: [----------] 2 tests from InvertMatrixTest 13: [ RUN ] InvertMatrixTest.IdentityIsImpotent 13: [ OK ] InvertMatrixTest.IdentityIsImpotent (0 ms) 13: [ RUN ] InvertMatrixTest.ComputesInverse 13: [ OK ] InvertMatrixTest.ComputesInverse (0 ms) 13: [----------] 2 tests from InvertMatrixTest (0 ms total) 13: 13: [----------] 2 tests from InvertBoxMatrixTest 13: [ RUN ] InvertBoxMatrixTest.IdentityIsImpotent 13: [ OK ] InvertBoxMatrixTest.IdentityIsImpotent (0 ms) 13: [ RUN ] InvertBoxMatrixTest.ComputesInverseInPlace 13: [ OK ] InvertBoxMatrixTest.ComputesInverseInPlace (0 ms) 13: [----------] 2 tests from InvertBoxMatrixTest (0 ms total) 13: 13: [----------] 15 tests from MatrixTest 13: [ RUN ] MatrixTest.canSetFromArray 13: [ OK ] MatrixTest.canSetFromArray (0 ms) 13: [ RUN ] MatrixTest.canSetStaticallyFromList 13: [ OK ] MatrixTest.canSetStaticallyFromList (0 ms) 13: [ RUN ] MatrixTest.canConstructAndFill 13: [ OK ] MatrixTest.canConstructAndFill (0 ms) 13: [ RUN ] MatrixTest.canSetValues 13: [ OK ] MatrixTest.canSetValues (0 ms) 13: [ RUN ] MatrixTest.canCopyAssign 13: [ OK ] MatrixTest.canCopyAssign (0 ms) 13: [ RUN ] MatrixTest.canSwap 13: [ OK ] MatrixTest.canSwap (0 ms) 13: [ RUN ] MatrixTest.staticMultiDimArrayExtent 13: [ OK ] MatrixTest.staticMultiDimArrayExtent (0 ms) 13: [ RUN ] MatrixTest.determinantWorks 13: [ OK ] MatrixTest.determinantWorks (0 ms) 13: [ RUN ] MatrixTest.noninvertableDeterminantIsZero 13: [ OK ] MatrixTest.noninvertableDeterminantIsZero (0 ms) 13: [ RUN ] MatrixTest.determinantOfDiagonalMatrix 13: [ OK ] MatrixTest.determinantOfDiagonalMatrix (0 ms) 13: [ RUN ] MatrixTest.traceWorks 13: [ OK ] MatrixTest.traceWorks (0 ms) 13: [ RUN ] MatrixTest.transposeWorks 13: [ OK ] MatrixTest.transposeWorks (0 ms) 13: [ RUN ] MatrixTest.transposeOfSymmetricMatrix 13: [ OK ] MatrixTest.transposeOfSymmetricMatrix (0 ms) 13: [ RUN ] MatrixTest.canCreateFromLegacyMatrix 13: [ OK ] MatrixTest.canCreateFromLegacyMatrix (0 ms) 13: [ RUN ] MatrixTest.canFillLegacyMatrix 13: [ OK ] MatrixTest.canFillLegacyMatrix (0 ms) 13: [----------] 15 tests from MatrixTest (0 ms total) 13: 13: [----------] 25 tests from MultiDimArrayTest 13: [ RUN ] MultiDimArrayTest.canConstructAndFillStatic 13: [ OK ] MultiDimArrayTest.canConstructAndFillStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canConstructAndFillDynamic 13: [ OK ] MultiDimArrayTest.canConstructAndFillDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSetValuesInStatic 13: [ OK ] MultiDimArrayTest.canSetValuesInStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSetValuesInDynamic 13: [ OK ] MultiDimArrayTest.canSetValuesInDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveConstructStatic 13: [ OK ] MultiDimArrayTest.canMoveConstructStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveConstructDynamic 13: [ OK ] MultiDimArrayTest.canMoveConstructDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveAssignStatic 13: [ OK ] MultiDimArrayTest.canMoveAssignStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canMoveAssignDynamic 13: [ OK ] MultiDimArrayTest.canMoveAssignDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyConstructStatic 13: [ OK ] MultiDimArrayTest.canCopyConstructStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyConstructDynamic 13: [ OK ] MultiDimArrayTest.canCopyConstructDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyAssignStatic 13: [ OK ] MultiDimArrayTest.canCopyAssignStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canCopyAssignDynamic 13: [ OK ] MultiDimArrayTest.canCopyAssignDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSwapStatic 13: [ OK ] MultiDimArrayTest.canSwapStatic (0 ms) 13: [ RUN ] MultiDimArrayTest.canSwapDynamic 13: [ OK ] MultiDimArrayTest.canSwapDynamic (0 ms) 13: [ RUN ] MultiDimArrayTest.staticMultiDimArrayExtent 13: [ OK ] MultiDimArrayTest.staticMultiDimArrayExtent (0 ms) 13: [ RUN ] MultiDimArrayTest.dynamicMultiDimArrayExtent 13: [ OK ] MultiDimArrayTest.dynamicMultiDimArrayExtent (0 ms) 13: [ RUN ] MultiDimArrayTest.dynamicMultiDimArrayResizesToCorrectExtent 13: [ OK ] MultiDimArrayTest.dynamicMultiDimArrayResizesToCorrectExtent (0 ms) 13: [ RUN ] MultiDimArrayTest.dynamicMultiDimArrayResizeAndSetValue 13: [ OK ] MultiDimArrayTest.dynamicMultiDimArrayResizeAndSetValue (0 ms) 13: [ RUN ] MultiDimArrayTest.staticMultiDimArrayFromArray 13: [ OK ] MultiDimArrayTest.staticMultiDimArrayFromArray (0 ms) 13: [ RUN ] MultiDimArrayTest.conversionToView 13: [ OK ] MultiDimArrayTest.conversionToView (0 ms) 13: [ RUN ] MultiDimArrayTest.conversionToConstView 13: [ OK ] MultiDimArrayTest.conversionToConstView (0 ms) 13: [ RUN ] MultiDimArrayTest.viewBegin 13: [ OK ] MultiDimArrayTest.viewBegin (0 ms) 13: [ RUN ] MultiDimArrayTest.viewEnd 13: [ OK ] MultiDimArrayTest.viewEnd (0 ms) 13: [ RUN ] MultiDimArrayTest.constViewConstBegin 13: [ OK ] MultiDimArrayTest.constViewConstBegin (0 ms) 13: [ RUN ] MultiDimArrayTest.constViewConstEnd 13: [ OK ] MultiDimArrayTest.constViewConstEnd (0 ms) 13: [----------] 25 tests from MultiDimArrayTest (0 ms total) 13: 13: [----------] 4 tests from MultiDimArrayToMdSpanTest 13: [ RUN ] MultiDimArrayToMdSpanTest.convertsToMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.convertsToMdSpan (0 ms) 13: [ RUN ] MultiDimArrayToMdSpanTest.constArrayToMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.constArrayToMdSpan (0 ms) 13: [ RUN ] MultiDimArrayToMdSpanTest.nonConstArrayToConstMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.nonConstArrayToConstMdSpan (0 ms) 13: [ RUN ] MultiDimArrayToMdSpanTest.implicitConversionToMdSpan 13: [ OK ] MultiDimArrayToMdSpanTest.implicitConversionToMdSpan (0 ms) 13: [----------] 4 tests from MultiDimArrayToMdSpanTest (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/0, where TypeParam = std::allocator 13: [ RUN ] PaddedVectorTest/0.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/0.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/0.CanCopyAssign 13: [ OK ] PaddedVectorTest/0.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/0.CanMoveAssign 13: [ OK ] PaddedVectorTest/0.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/0.CanSwap 13: [ OK ] PaddedVectorTest/0.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/0 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/1, where TypeParam = std::allocator 13: [ RUN ] PaddedVectorTest/1.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/1.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/1.CanCopyAssign 13: [ OK ] PaddedVectorTest/1.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/1.CanMoveAssign 13: [ OK ] PaddedVectorTest/1.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/1.CanSwap 13: [ OK ] PaddedVectorTest/1.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/1 (1 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/2, where TypeParam = std::allocator 13: [ RUN ] PaddedVectorTest/2.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/2.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/2.CanCopyAssign 13: [ OK ] PaddedVectorTest/2.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/2.CanMoveAssign 13: [ OK ] PaddedVectorTest/2.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/2.CanSwap 13: [ OK ] PaddedVectorTest/2.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/2 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/3, where TypeParam = std::allocator > 13: [ RUN ] PaddedVectorTest/3.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/3.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/3.CanCopyAssign 13: [ OK ] PaddedVectorTest/3.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/3.CanMoveAssign 13: [ OK ] PaddedVectorTest/3.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/3.CanSwap 13: [ OK ] PaddedVectorTest/3.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/3 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/4, where TypeParam = std::allocator > 13: [ RUN ] PaddedVectorTest/4.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/4.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/4.CanCopyAssign 13: [ OK ] PaddedVectorTest/4.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/4.CanMoveAssign 13: [ OK ] PaddedVectorTest/4.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/4.CanSwap 13: [ OK ] PaddedVectorTest/4.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/4 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/5, where TypeParam = gmx::Allocator 13: [ RUN ] PaddedVectorTest/5.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/5.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/5.CanCopyAssign 13: [ OK ] PaddedVectorTest/5.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/5.CanMoveAssign 13: [ OK ] PaddedVectorTest/5.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/5.CanSwap 13: [ OK ] PaddedVectorTest/5.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/5 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/6, where TypeParam = gmx::Allocator 13: [ RUN ] PaddedVectorTest/6.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/6.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/6.CanCopyAssign 13: [ OK ] PaddedVectorTest/6.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/6.CanMoveAssign 13: [ OK ] PaddedVectorTest/6.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/6.CanSwap 13: [ OK ] PaddedVectorTest/6.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/6 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/7, where TypeParam = gmx::Allocator 13: [ RUN ] PaddedVectorTest/7.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/7.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/7.CanCopyAssign 13: [ OK ] PaddedVectorTest/7.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/7.CanMoveAssign 13: [ OK ] PaddedVectorTest/7.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/7.CanSwap 13: [ OK ] PaddedVectorTest/7.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/7 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/8, where TypeParam = gmx::Allocator, gmx::AlignedAllocationPolicy> 13: [ RUN ] PaddedVectorTest/8.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/8.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/8.CanCopyAssign 13: [ OK ] PaddedVectorTest/8.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/8.CanMoveAssign 13: [ OK ] PaddedVectorTest/8.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/8.CanSwap 13: [ OK ] PaddedVectorTest/8.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/8 (0 ms total) 13: 13: [----------] 4 tests from PaddedVectorTest/9, where TypeParam = gmx::Allocator, gmx::AlignedAllocationPolicy> 13: [ RUN ] PaddedVectorTest/9.ConstructsResizesAndReserves 13: [ OK ] PaddedVectorTest/9.ConstructsResizesAndReserves (0 ms) 13: [ RUN ] PaddedVectorTest/9.CanCopyAssign 13: [ OK ] PaddedVectorTest/9.CanCopyAssign (0 ms) 13: [ RUN ] PaddedVectorTest/9.CanMoveAssign 13: [ OK ] PaddedVectorTest/9.CanMoveAssign (0 ms) 13: [ RUN ] PaddedVectorTest/9.CanSwap 13: [ OK ] PaddedVectorTest/9.CanSwap (0 ms) 13: [----------] 4 tests from PaddedVectorTest/9 (0 ms total) 13: 13: [----------] 37 tests from RVecTest 13: [ RUN ] RVecTest.CanBeStoredInVector 13: [ OK ] RVecTest.CanBeStoredInVector (0 ms) 13: [ RUN ] RVecTest.ConvertsImplicitlyFrom_rvec 13: [ OK ] RVecTest.ConvertsImplicitlyFrom_rvec (0 ms) 13: [ RUN ] RVecTest.ConvertsImplicitlyTo_rvec 13: [ OK ] RVecTest.ConvertsImplicitlyTo_rvec (0 ms) 13: [ RUN ] RVecTest.WorksAsMutable_rvec 13: [ OK ] RVecTest.WorksAsMutable_rvec (0 ms) 13: [ RUN ] RVecTest.WorksAs_rvec_Array 13: [ OK ] RVecTest.WorksAs_rvec_Array (0 ms) 13: [ RUN ] RVecTest.CanAddRVecToRvec 13: [ OK ] RVecTest.CanAddRVecToRvec (0 ms) 13: [ RUN ] RVecTest.CanAddAssignRVecToRvec 13: [ OK ] RVecTest.CanAddAssignRVecToRvec (0 ms) 13: [ RUN ] RVecTest.CanSubtractRVecFromRvec 13: [ OK ] RVecTest.CanSubtractRVecFromRvec (0 ms) 13: [ RUN ] RVecTest.CanSubtractAssignRVecFromRvec 13: [ OK ] RVecTest.CanSubtractAssignRVecFromRvec (0 ms) 13: [ RUN ] RVecTest.CanDotProductRVecByRvec 13: [ OK ] RVecTest.CanDotProductRVecByRvec (0 ms) 13: [ RUN ] RVecTest.CanCrossProductRVecByRvec 13: [ OK ] RVecTest.CanCrossProductRVecByRvec (0 ms) 13: [ RUN ] RVecTest.CanDivideRVecInplace 13: [ OK ] RVecTest.CanDivideRVecInplace (0 ms) 13: [ RUN ] RVecTest.CanScaleRVec 13: [ OK ] RVecTest.CanScaleRVec (0 ms) 13: [ RUN ] RVecTest.CanDivideRVec 13: [ OK ] RVecTest.CanDivideRVec (0 ms) 13: [ RUN ] RVecTest.CanDoUnitvFromRVec 13: [ OK ] RVecTest.CanDoUnitvFromRVec (0 ms) 13: [ RUN ] RVecTest.CanSqLengthOfRVec 13: [ OK ] RVecTest.CanSqLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanLengthOfRVec 13: [ OK ] RVecTest.CanLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanCastToRVec 13: [ OK ] RVecTest.CanCastToRVec (0 ms) 13: [ RUN ] RVecTest.CanCastToDVec 13: [ OK ] RVecTest.CanCastToDVec (0 ms) 13: [ RUN ] RVecTest.CanLeftScalarMultiply 13: [ OK ] RVecTest.CanLeftScalarMultiply (0 ms) 13: [ RUN ] RVecTest.CanRightScalarMultiply 13: [ OK ] RVecTest.CanRightScalarMultiply (0 ms) 13: [ RUN ] RVecTest.CanGetUnitvFromRVec 13: [ OK ] RVecTest.CanGetUnitvFromRVec (0 ms) 13: [ RUN ] RVecTest.CanGetSqLengthOfRVec 13: [ OK ] RVecTest.CanGetSqLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanGetLengthOfRVec 13: [ OK ] RVecTest.CanGetLengthOfRVec (0 ms) 13: [ RUN ] RVecTest.CanDoCrossProductOfRVec 13: [ OK ] RVecTest.CanDoCrossProductOfRVec (0 ms) 13: [ RUN ] RVecTest.CanDoDotProductOfRVec 13: [ OK ] RVecTest.CanDoDotProductOfRVec (0 ms) 13: [ RUN ] RVecTest.CanScaleByVector 13: [ OK ] RVecTest.CanScaleByVector (0 ms) 13: [ RUN ] RVecTest.asIVec 13: [ OK ] RVecTest.asIVec (0 ms) 13: [ RUN ] RVecTest.elementWiseMin 13: [ OK ] RVecTest.elementWiseMin (0 ms) 13: [ RUN ] RVecTest.elementWiseMax 13: [ OK ] RVecTest.elementWiseMax (0 ms) 13: [ RUN ] RVecTest.WorksAs_dvec_Reference 13: [ OK ] RVecTest.WorksAs_dvec_Reference (0 ms) 13: [ RUN ] RVecTest.WorksAs_ivec_Reference 13: [ OK ] RVecTest.WorksAs_ivec_Reference (0 ms) 13: [ RUN ] RVecTest.WorksAs_rvec_Reference 13: [ OK ] RVecTest.WorksAs_rvec_Reference (0 ms) 13: [ RUN ] RVecTest.CopyConstructorWorks 13: [ OK ] RVecTest.CopyConstructorWorks (0 ms) 13: [ RUN ] RVecTest.CopyAssignmentWorks 13: [ OK ] RVecTest.CopyAssignmentWorks (0 ms) 13: [ RUN ] RVecTest.MoveConstructorWorks 13: [ OK ] RVecTest.MoveConstructorWorks (0 ms) 13: [ RUN ] RVecTest.MoveAssignmentWorks 13: [ OK ] RVecTest.MoveAssignmentWorks (0 ms) 13: [----------] 37 tests from RVecTest (0 ms total) 13: 13: [----------] Global test environment tear-down 13: [==========] 204 tests from 29 test cases ran. (227 ms total) 13: [ PASSED ] 204 tests. 13/30 Test #13: MathUnitTests .................... Passed 0.88 sec test 14 Start 14: MdrunUtilityUnitTests 14: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/mdrunutility-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/MdrunUtilityUnitTests.xml" 14: Test timeout computed to be: 30 14: [==========] Running 17 tests from 1 test case. 14: [----------] Global test environment set-up. 14: [----------] 17 tests from ThreadAffinityTest 14: [ RUN ] ThreadAffinityTest.DoesNothingWhenDisabled 14: [ OK ] ThreadAffinityTest.DoesNothingWhenDisabled (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWhenNotSupported 14: [ OK ] ThreadAffinityTest.DoesNothingWhenNotSupported (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithAutoAndTooFewUserSetThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooFewUserSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyUserSetThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyUserSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyAutoSetThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithAutoAndTooManyAutoSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithUnknownHardware 14: [ OK ] ThreadAffinityTest.DoesNothingWithUnknownHardware (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithTooManyThreads 14: [ OK ] ThreadAffinityTest.DoesNothingWithTooManyThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithTooLargeOffset 14: [ OK ] ThreadAffinityTest.DoesNothingWithTooLargeOffset (0 ms) 14: [ RUN ] ThreadAffinityTest.DoesNothingWithTooLargeStride 14: [ OK ] ThreadAffinityTest.DoesNothingWithTooLargeStride (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsSingleThreadWithAuto 14: [ OK ] ThreadAffinityTest.PinsSingleThreadWithAuto (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsSingleThreadWhenForced 14: [ OK ] ThreadAffinityTest.PinsSingleThreadWhenForced (1 ms) 14: [ RUN ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced 14: [ OK ] ThreadAffinityTest.PinsSingleThreadWithOffsetWhenForced (0 ms) 14: [ RUN ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread 14: NOTE: Affinity setting failed. 14: [ OK ] ThreadAffinityTest.HandlesPinningFailureWithSingleThread (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsMultipleThreadsWithAuto 14: [ OK ] ThreadAffinityTest.PinsMultipleThreadsWithAuto (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced 14: [ OK ] ThreadAffinityTest.PinsMultipleThreadsWithStrideWhenForced (0 ms) 14: [ RUN ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads 14: [ OK ] ThreadAffinityTest.PinsWithAutoAndFewerAutoSetThreads (0 ms) 14: [ RUN ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing 14: NOTE: Affinity setting for 1/2 threads failed. 14: [ OK ] ThreadAffinityTest.HandlesPinningFailureWithOneThreadFailing (0 ms) 14: [----------] 17 tests from ThreadAffinityTest (3 ms total) 14: 14: [----------] Global test environment tear-down 14: [==========] 17 tests from 1 test case ran. (3 ms total) 14: [ PASSED ] 17 tests. 14/30 Test #14: MdrunUtilityUnitTests ............ Passed 0.64 sec test 15 Start 15: MdrunUtilityMpiUnitTests 15: Test command: /usr/bin/mpiexec.openmpi "-np" "4" "-host" "localhost" "/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/mdrunutility-mpi-test" "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/MdrunUtilityMpiUnitTests.xml" 15: Test timeout computed to be: 30 15: [==========] Running 13 tests from 2 test cases. 15: [----------] Global test environment set-up. 15: [----------] 6 tests from ThreadAffinityMultiRankTest 15: [ RUN ] ThreadAffinityMultiRankTest.PinsWholeNode 15: [ OK ] ThreadAffinityMultiRankTest.PinsWholeNode (0 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride 15: [ OK ] ThreadAffinityMultiRankTest.PinsWithOffsetAndStride (1 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.PinsTwoNodes 15: [ OK ] ThreadAffinityMultiRankTest.PinsTwoNodes (0 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled 15: [ OK ] ThreadAffinityMultiRankTest.DoesNothingWhenDisabled (1 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto 15: [ OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithAuto (0 ms) 15: [ RUN ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce 15: [ OK ] ThreadAffinityMultiRankTest.HandlesTooManyThreadsWithForce (0 ms) 15: [----------] 6 tests from ThreadAffinityMultiRankTest (2 ms total) 15: 15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnMasterOnly (0 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsOnNonMasterOnly (0 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.HandlesUnknownHardwareOnNonMaster (0 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnMasterOnly (1 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.PinsAutomaticallyOnNonMasterOnly (0 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidOffsetOnNonMasterOnly (36 ms) 15: [ RUN ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly 15: [ OK ] ThreadAffinityHeterogeneousNodesTest.HandlesInvalidStrideOnNonMasterOnly (1 ms) 15: [----------] 7 tests from ThreadAffinityHeterogeneousNodesTest (39 ms total) 15: 15: [----------] Global test environment tear-down 15: [==========] 13 tests from 2 test cases ran. (42 ms total) 15: [ PASSED ] 13 tests. 15/30 Test #15: MdrunUtilityMpiUnitTests ......... Passed 1.23 sec test 16 Start 16: MDSpanTests 16: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/mdspan-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/MDSpanTests.xml" 16: Test timeout computed to be: 30 16: [==========] Running 32 tests from 7 test cases. 16: [----------] Global test environment set-up. 16: [----------] 4 tests from BasicAccessorPolicy 16: [ RUN ] BasicAccessorPolicy.Decay 16: [ OK ] BasicAccessorPolicy.Decay (0 ms) 16: [ RUN ] BasicAccessorPolicy.Access 16: [ OK ] BasicAccessorPolicy.Access (0 ms) 16: [ RUN ] BasicAccessorPolicy.Offset 16: [ OK ] BasicAccessorPolicy.Offset (0 ms) 16: [ RUN ] BasicAccessorPolicy.CopyAccessor 16: [ OK ] BasicAccessorPolicy.CopyAccessor (0 ms) 16: [----------] 4 tests from BasicAccessorPolicy (0 ms total) 16: 16: [----------] 4 tests from ExtentsTest 16: [ RUN ] ExtentsTest.Construction 16: [ OK ] ExtentsTest.Construction (0 ms) 16: [ RUN ] ExtentsTest.PurelyStatic 16: [ OK ] ExtentsTest.PurelyStatic (0 ms) 16: [ RUN ] ExtentsTest.RankNought 16: [ OK ] ExtentsTest.RankNought (0 ms) 16: [ RUN ] ExtentsTest.Assignment 16: [ OK ] ExtentsTest.Assignment (0 ms) 16: [----------] 4 tests from ExtentsTest (0 ms total) 16: 16: [----------] 8 tests from MdSpanExtension 16: [ RUN ] MdSpanExtension.SlicingAllStatic 16: [ OK ] MdSpanExtension.SlicingAllStatic (0 ms) 16: [ RUN ] MdSpanExtension.SlicingDynamic 16: [ OK ] MdSpanExtension.SlicingDynamic (0 ms) 16: [ RUN ] MdSpanExtension.SlicingAllStatic3D 16: [ OK ] MdSpanExtension.SlicingAllStatic3D (0 ms) 16: [ RUN ] MdSpanExtension.SlicingEqualsView3D 16: [ OK ] MdSpanExtension.SlicingEqualsView3D (0 ms) 16: [ RUN ] MdSpanExtension.additionWorks 16: [ OK ] MdSpanExtension.additionWorks (0 ms) 16: [ RUN ] MdSpanExtension.subtractionWorks 16: [ OK ] MdSpanExtension.subtractionWorks (0 ms) 16: [ RUN ] MdSpanExtension.multiplicationWorks 16: [ OK ] MdSpanExtension.multiplicationWorks (0 ms) 16: [ RUN ] MdSpanExtension.divisionWorks 16: [ OK ] MdSpanExtension.divisionWorks (0 ms) 16: [----------] 8 tests from MdSpanExtension (0 ms total) 16: 16: [----------] 3 tests from LayoutTests 16: [ RUN ] LayoutTests.LayoutRightConstruction 16: [ OK ] LayoutTests.LayoutRightConstruction (0 ms) 16: [ RUN ] LayoutTests.LayoutRightProperties 16: [ OK ] LayoutTests.LayoutRightProperties (0 ms) 16: [ RUN ] LayoutTests.LayoutRightOperator 16: [ OK ] LayoutTests.LayoutRightOperator (0 ms) 16: [----------] 3 tests from LayoutTests (0 ms total) 16: 16: [----------] 1 test from MdSpanTest 16: [ RUN ] MdSpanTest.MdSpanWrapsBasicMdSpanCorrectly 16: [ OK ] MdSpanTest.MdSpanWrapsBasicMdSpanCorrectly (0 ms) 16: [----------] 1 test from MdSpanTest (0 ms total) 16: 16: [----------] 6 tests from MdSpanTest/0, where TypeParam = gmx::basic_mdspan, gmx::layout_right, gmx::accessor_basic > 16: [ RUN ] MdSpanTest/0.Rank 16: [ OK ] MdSpanTest/0.Rank (0 ms) 16: [ RUN ] MdSpanTest/0.DynamicRank 16: [ OK ] MdSpanTest/0.DynamicRank (0 ms) 16: [ RUN ] MdSpanTest/0.Extents 16: [ OK ] MdSpanTest/0.Extents (0 ms) 16: [ RUN ] MdSpanTest/0.Strides 16: [ OK ] MdSpanTest/0.Strides (0 ms) 16: [ RUN ] MdSpanTest/0.Properties 16: [ OK ] MdSpanTest/0.Properties (0 ms) 16: [ RUN ] MdSpanTest/0.Operator 16: [ OK ] MdSpanTest/0.Operator (0 ms) 16: [----------] 6 tests from MdSpanTest/0 (0 ms total) 16: 16: [----------] 6 tests from MdSpanTest/1, where TypeParam = gmx::basic_mdspan, gmx::layout_right, gmx::accessor_basic > 16: [ RUN ] MdSpanTest/1.Rank 16: [ OK ] MdSpanTest/1.Rank (0 ms) 16: [ RUN ] MdSpanTest/1.DynamicRank 16: [ OK ] MdSpanTest/1.DynamicRank (0 ms) 16: [ RUN ] MdSpanTest/1.Extents 16: [ OK ] MdSpanTest/1.Extents (0 ms) 16: [ RUN ] MdSpanTest/1.Strides 16: [ OK ] MdSpanTest/1.Strides (0 ms) 16: [ RUN ] MdSpanTest/1.Properties 16: [ OK ] MdSpanTest/1.Properties (0 ms) 16: [ RUN ] MdSpanTest/1.Operator 16: [ OK ] MdSpanTest/1.Operator (0 ms) 16: [----------] 6 tests from MdSpanTest/1 (0 ms total) 16: 16: [----------] Global test environment tear-down 16: [==========] 32 tests from 7 test cases ran. (0 ms total) 16: [ PASSED ] 32 tests. 16/30 Test #16: MDSpanTests ...................... Passed 0.75 sec test 17 Start 17: OnlineHelpUnitTests 17: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/onlinehelp-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/OnlineHelpUnitTests.xml" 17: Test timeout computed to be: 30 17: [==========] Running 22 tests from 4 test cases. 17: [----------] Global test environment set-up. 17: [----------] 6 tests from TextTableFormatterTest 17: [ RUN ] TextTableFormatterTest.HandlesBasicCase 17: [ OK ] TextTableFormatterTest.HandlesBasicCase (0 ms) 17: [ RUN ] TextTableFormatterTest.HandlesEmptyColumnTitles 17: [ OK ] TextTableFormatterTest.HandlesEmptyColumnTitles (0 ms) 17: [ RUN ] TextTableFormatterTest.HandlesIndentation 17: [ OK ] TextTableFormatterTest.HandlesIndentation (0 ms) 17: [ RUN ] TextTableFormatterTest.HandlesOverflowingLines 17: [ OK ] TextTableFormatterTest.HandlesOverflowingLines (0 ms) 17: [ RUN ] TextTableFormatterTest.HandlesLastColumnFolding 17: [ OK ] TextTableFormatterTest.HandlesLastColumnFolding (0 ms) 17: [ RUN ] TextTableFormatterTest.HandlesEmptyColumns 17: [ OK ] TextTableFormatterTest.HandlesEmptyColumns (0 ms) 17: [----------] 6 tests from TextTableFormatterTest (0 ms total) 17: 17: [----------] 3 tests from HelpManagerTest 17: [ RUN ] HelpManagerTest.HandlesRootTopic 17: [ OK ] HelpManagerTest.HandlesRootTopic (0 ms) 17: [ RUN ] HelpManagerTest.HandlesSubTopics 17: [ OK ] HelpManagerTest.HandlesSubTopics (0 ms) 17: [ RUN ] HelpManagerTest.HandlesInvalidTopics 17: [ OK ] HelpManagerTest.HandlesInvalidTopics (1 ms) 17: [----------] 3 tests from HelpManagerTest (1 ms total) 17: 17: [----------] 2 tests from HelpTopicFormattingTest 17: [ RUN ] HelpTopicFormattingTest.FormatsSimpleTopic 17: [ OK ] HelpTopicFormattingTest.FormatsSimpleTopic (0 ms) 17: [ RUN ] HelpTopicFormattingTest.FormatsCompositeTopicWithSubTopics 17: [ OK ] HelpTopicFormattingTest.FormatsCompositeTopicWithSubTopics (0 ms) 17: [----------] 2 tests from HelpTopicFormattingTest (0 ms total) 17: 17: [----------] 11 tests from HelpWriterContextTest 17: [ RUN ] HelpWriterContextTest.FormatsParagraphs 17: [ OK ] HelpWriterContextTest.FormatsParagraphs (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsRstStyleParagraphs 17: [ OK ] HelpWriterContextTest.FormatsRstStyleParagraphs (0 ms) 17: [ RUN ] HelpWriterContextTest.CleansUpExtraWhitespace 17: [ OK ] HelpWriterContextTest.CleansUpExtraWhitespace (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsLiteralText 17: [ OK ] HelpWriterContextTest.FormatsLiteralText (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsLiteralTextAtBeginning 17: [ OK ] HelpWriterContextTest.FormatsLiteralTextAtBeginning (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsLiteralTextWithIndentation 17: [ OK ] HelpWriterContextTest.FormatsLiteralTextWithIndentation (10 ms) 17: [ RUN ] HelpWriterContextTest.FormatsBulletList 17: [ OK ] HelpWriterContextTest.FormatsBulletList (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsEnumeratedList 17: [ OK ] HelpWriterContextTest.FormatsEnumeratedList (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsSimpleTable 17: [ OK ] HelpWriterContextTest.FormatsSimpleTable (0 ms) 17: [ RUN ] HelpWriterContextTest.FormatsGridTable 17: [ OK ] HelpWriterContextTest.FormatsGridTable (23 ms) 17: [ RUN ] HelpWriterContextTest.FormatsTitles 17: [ OK ] HelpWriterContextTest.FormatsTitles (44 ms) 17: [----------] 11 tests from HelpWriterContextTest (78 ms total) 17: 17: [----------] Global test environment tear-down 17: [==========] 22 tests from 4 test cases ran. (79 ms total) 17: [ PASSED ] 22 tests. 17/30 Test #17: OnlineHelpUnitTests .............. Passed 0.90 sec test 18 Start 18: OptionsUnitTests 18: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/options-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/OptionsUnitTests.xml" 18: Test timeout computed to be: 30 18: [==========] Running 110 tests from 18 test cases. 18: [----------] Global test environment set-up. 18: [----------] 5 tests from AbstractOptionStorageTest 18: [ RUN ] AbstractOptionStorageTest.HandlesSetInFinish 18: [ OK ] AbstractOptionStorageTest.HandlesSetInFinish (0 ms) 18: [ RUN ] AbstractOptionStorageTest.HandlesValueRemoval 18: [ OK ] AbstractOptionStorageTest.HandlesValueRemoval (0 ms) 18: [ RUN ] AbstractOptionStorageTest.HandlesValueAddition 18: [ OK ] AbstractOptionStorageTest.HandlesValueAddition (0 ms) 18: [ RUN ] AbstractOptionStorageTest.HandlesTooManyValueAddition 18: [ OK ] AbstractOptionStorageTest.HandlesTooManyValueAddition (0 ms) 18: [ RUN ] AbstractOptionStorageTest.AllowsEmptyValues 18: [ OK ] AbstractOptionStorageTest.AllowsEmptyValues (0 ms) 18: [----------] 5 tests from AbstractOptionStorageTest (1 ms total) 18: 18: [----------] 8 tests from FileNameOptionTest 18: [ RUN ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension 18: [ OK ] FileNameOptionTest.HandlesRequiredDefaultValueWithoutExtension (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesRequiredOptionWithoutValue 18: [ OK ] FileNameOptionTest.HandlesRequiredOptionWithoutValue (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesOptionalUnsetOption 18: [ OK ] FileNameOptionTest.HandlesOptionalUnsetOption (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesOptionalDefaultValueWithoutExtension 18: [ OK ] FileNameOptionTest.HandlesOptionalDefaultValueWithoutExtension (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesRequiredCustomDefaultExtension 18: [ OK ] FileNameOptionTest.HandlesRequiredCustomDefaultExtension (0 ms) 18: [ RUN ] FileNameOptionTest.HandlesOptionalCustomDefaultExtension 18: [ OK ] FileNameOptionTest.HandlesOptionalCustomDefaultExtension (0 ms) 18: [ RUN ] FileNameOptionTest.GivesErrorOnUnknownFileSuffix 18: [ OK ] FileNameOptionTest.GivesErrorOnUnknownFileSuffix (1 ms) 18: [ RUN ] FileNameOptionTest.GivesErrorOnInvalidFileSuffix 18: [ OK ] FileNameOptionTest.GivesErrorOnInvalidFileSuffix (0 ms) 18: [----------] 8 tests from FileNameOptionTest (1 ms total) 18: 18: [----------] 15 tests from FileNameOptionManagerTest 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtension 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtension (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingCustomDefaultExtension 18: [ OK ] FileNameOptionManagerTest.AddsMissingCustomDefaultExtension (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingGenericInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingGenericInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingDefaultInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.GivesErrorOnMissingRequiredInputFile 18: [ OK ] FileNameOptionManagerTest.GivesErrorOnMissingRequiredInputFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AcceptsMissingInputFileIfSpecified 18: [ OK ] FileNameOptionManagerTest.AcceptsMissingInputFileIfSpecified (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AcceptsMissingDefaultInputFileIfSpecified 18: [ OK ] FileNameOptionManagerTest.AcceptsMissingDefaultInputFileIfSpecified (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AcceptsMissingRequiredInputFileIfSpecified 18: [ OK ] FileNameOptionManagerTest.AcceptsMissingRequiredInputFileIfSpecified (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredDefaultNameBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredDefaultNameBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalDefaultNameBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalDefaultNameBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredFromDefaultNameOptionBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForRequiredFromDefaultNameOptionBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalFromDefaultNameOptionBasedOnExistingFile 18: [ OK ] FileNameOptionManagerTest.AddsMissingExtensionForOptionalFromDefaultNameOptionBasedOnExistingFile (0 ms) 18: [ RUN ] FileNameOptionManagerTest.DefaultNameOptionWorksWithoutInputChecking 18: [ OK ] FileNameOptionManagerTest.DefaultNameOptionWorksWithoutInputChecking (0 ms) 18: [----------] 15 tests from FileNameOptionManagerTest (0 ms total) 18: 18: [----------] 1 test from OptionsTest 18: [ RUN ] OptionsTest.FailsOnNonsafeStorage 18: [ OK ] OptionsTest.FailsOnNonsafeStorage (0 ms) 18: [----------] 1 test from OptionsTest (0 ms total) 18: 18: [----------] 9 tests from OptionsAssignerTest 18: [ RUN ] OptionsAssignerTest.HandlesMissingRequiredParameter 18: [ OK ] OptionsAssignerTest.HandlesMissingRequiredParameter (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesRequiredParameterWithDefaultValue 18: [ OK ] OptionsAssignerTest.HandlesRequiredParameterWithDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesInvalidMultipleParameter 18: [ OK ] OptionsAssignerTest.HandlesInvalidMultipleParameter (1 ms) 18: [ RUN ] OptionsAssignerTest.HandlesMultipleParameter 18: [ OK ] OptionsAssignerTest.HandlesMultipleParameter (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesMissingValue 18: [ OK ] OptionsAssignerTest.HandlesMissingValue (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesExtraValue 18: [ OK ] OptionsAssignerTest.HandlesExtraValue (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesGroups 18: [ OK ] OptionsAssignerTest.HandlesGroups (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesSections 18: [ OK ] OptionsAssignerTest.HandlesSections (0 ms) 18: [ RUN ] OptionsAssignerTest.HandlesMultipleSources 18: [ OK ] OptionsAssignerTest.HandlesMultipleSources (0 ms) 18: [----------] 9 tests from OptionsAssignerTest (1 ms total) 18: 18: [----------] 4 tests from OptionsAssignerBooleanTest 18: [ RUN ] OptionsAssignerBooleanTest.StoresYesValue 18: [ OK ] OptionsAssignerBooleanTest.StoresYesValue (0 ms) 18: [ RUN ] OptionsAssignerBooleanTest.SetsBooleanWithoutExplicitValue 18: [ OK ] OptionsAssignerBooleanTest.SetsBooleanWithoutExplicitValue (0 ms) 18: [ RUN ] OptionsAssignerBooleanTest.ClearsBooleanWithPrefixNo 18: [ OK ] OptionsAssignerBooleanTest.ClearsBooleanWithPrefixNo (0 ms) 18: [ RUN ] OptionsAssignerBooleanTest.HandlesBooleanWithPrefixAndValue 18: [ OK ] OptionsAssignerBooleanTest.HandlesBooleanWithPrefixAndValue (0 ms) 18: [----------] 4 tests from OptionsAssignerBooleanTest (0 ms total) 18: 18: [----------] 13 tests from OptionsAssignerIntegerTest 18: [ RUN ] OptionsAssignerIntegerTest.StoresSingleValue 18: [ OK ] OptionsAssignerIntegerTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesEmptyValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesEmptyValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesInvalidValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesInvalidValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesOverflow 18: [ OK ] OptionsAssignerIntegerTest.HandlesOverflow (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.StoresDefaultValue 18: [ OK ] OptionsAssignerIntegerTest.StoresDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.StoresDefaultValueIfSet 18: [ OK ] OptionsAssignerIntegerTest.StoresDefaultValueIfSet (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesDefaultValueIfSetWhenNotSet 18: [ OK ] OptionsAssignerIntegerTest.HandlesDefaultValueIfSetWhenNotSet (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesBothDefaultValues 18: [ OK ] OptionsAssignerIntegerTest.HandlesBothDefaultValues (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.StoresToVector 18: [ OK ] OptionsAssignerIntegerTest.StoresToVector (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectors 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectors (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectorFromSingleValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectorFromSingleValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValue 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment 18: [ OK ] OptionsAssignerIntegerTest.HandlesVectorsWithDefaultValueWithInvalidAssignment (0 ms) 18: [----------] 13 tests from OptionsAssignerIntegerTest (0 ms total) 18: 18: [----------] 5 tests from OptionsAssignerDoubleTest 18: [ RUN ] OptionsAssignerDoubleTest.StoresSingleValue 18: [ OK ] OptionsAssignerDoubleTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.StoresValueFromFloat 18: [ OK ] OptionsAssignerDoubleTest.StoresValueFromFloat (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.HandlesEmptyValue 18: [ OK ] OptionsAssignerDoubleTest.HandlesEmptyValue (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.HandlesPreSetScaleValue 18: [ OK ] OptionsAssignerDoubleTest.HandlesPreSetScaleValue (0 ms) 18: [ RUN ] OptionsAssignerDoubleTest.HandlesPostSetScaleValue 18: [ OK ] OptionsAssignerDoubleTest.HandlesPostSetScaleValue (0 ms) 18: [----------] 5 tests from OptionsAssignerDoubleTest (0 ms total) 18: 18: [----------] 9 tests from OptionsAssignerStringTest 18: [ RUN ] OptionsAssignerStringTest.StoresSingleValue 18: [ OK ] OptionsAssignerStringTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumValue 18: [ OK ] OptionsAssignerStringTest.HandlesEnumValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumValueFromNullTerminatedArray 18: [ OK ] OptionsAssignerStringTest.HandlesEnumValueFromNullTerminatedArray (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesIncorrectEnumValue 18: [ OK ] OptionsAssignerStringTest.HandlesIncorrectEnumValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.CompletesEnumValue 18: [ OK ] OptionsAssignerStringTest.CompletesEnumValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumWithNoValue 18: [ OK ] OptionsAssignerStringTest.HandlesEnumWithNoValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumDefaultValue 18: [ OK ] OptionsAssignerStringTest.HandlesEnumDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVariable 18: [ OK ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVariable (0 ms) 18: [ RUN ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVector 18: [ OK ] OptionsAssignerStringTest.HandlesEnumDefaultValueFromVector (0 ms) 18: [----------] 9 tests from OptionsAssignerStringTest (0 ms total) 18: 18: [----------] 6 tests from OptionsAssignerEnumTest 18: [ RUN ] OptionsAssignerEnumTest.StoresSingleValue 18: [ OK ] OptionsAssignerEnumTest.StoresSingleValue (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.StoresVectorValues 18: [ OK ] OptionsAssignerEnumTest.StoresVectorValues (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesInitialValueOutOfRange 18: [ OK ] OptionsAssignerEnumTest.HandlesInitialValueOutOfRange (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesEnumDefaultValue 18: [ OK ] OptionsAssignerEnumTest.HandlesEnumDefaultValue (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVariable 18: [ OK ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVariable (0 ms) 18: [ RUN ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVector 18: [ OK ] OptionsAssignerEnumTest.HandlesEnumDefaultValueFromVector (0 ms) 18: [----------] 6 tests from OptionsAssignerEnumTest (0 ms total) 18: 18: [----------] 8 tests from RepeatingOptionSectionTest 18: [ RUN ] RepeatingOptionSectionTest.HandlesNoInstance 18: [ OK ] RepeatingOptionSectionTest.HandlesNoInstance (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesNoInstanceWithRequiredOption 18: [ OK ] RepeatingOptionSectionTest.HandlesNoInstanceWithRequiredOption (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesSingleInstance 18: [ OK ] RepeatingOptionSectionTest.HandlesSingleInstance (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesDefaultValue 18: [ OK ] RepeatingOptionSectionTest.HandlesDefaultValue (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesTwoInstances 18: [ OK ] RepeatingOptionSectionTest.HandlesTwoInstances (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesUnsetOptionWithImplicitDefault 18: [ OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithImplicitDefault (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesUnsetOptionWithExplicitDefault 18: [ OK ] RepeatingOptionSectionTest.HandlesUnsetOptionWithExplicitDefault (0 ms) 18: [ RUN ] RepeatingOptionSectionTest.HandlesNestedSections 18: [ OK ] RepeatingOptionSectionTest.HandlesNestedSections (1 ms) 18: [----------] 8 tests from RepeatingOptionSectionTest (1 ms total) 18: 18: [----------] 1 test from TimeUnitManagerTest 18: [ RUN ] TimeUnitManagerTest.BasicOperations 18: [ OK ] TimeUnitManagerTest.BasicOperations (0 ms) 18: [----------] 1 test from TimeUnitManagerTest (0 ms total) 18: 18: [----------] 4 tests from TimeUnitBehaviorTest 18: [ RUN ] TimeUnitBehaviorTest.ScalesAssignedOptionValue 18: [ OK ] TimeUnitBehaviorTest.ScalesAssignedOptionValue (0 ms) 18: [ RUN ] TimeUnitBehaviorTest.DoesNotScaleDefaultValues 18: [ OK ] TimeUnitBehaviorTest.DoesNotScaleDefaultValues (0 ms) 18: [ RUN ] TimeUnitBehaviorTest.ScalesUserInputWithMultipleSources 18: [ OK ] TimeUnitBehaviorTest.ScalesUserInputWithMultipleSources (0 ms) 18: [ RUN ] TimeUnitBehaviorTest.TimeUnitOptionWorks 18: [ OK ] TimeUnitBehaviorTest.TimeUnitOptionWorks (0 ms) 18: [----------] 4 tests from TimeUnitBehaviorTest (0 ms total) 18: 18: [----------] 2 tests from TreeValueSupportAssignTest 18: [ RUN ] TreeValueSupportAssignTest.AssignsFromTree 18: [ OK ] TreeValueSupportAssignTest.AssignsFromTree (0 ms) 18: [ RUN ] TreeValueSupportAssignTest.AssignsFromTreeWithArrays 18: [ OK ] TreeValueSupportAssignTest.AssignsFromTreeWithArrays (0 ms) 18: [----------] 2 tests from TreeValueSupportAssignTest (0 ms total) 18: 18: [----------] 1 test from TreeValueSupportAssignErrorTest 18: [ RUN ] TreeValueSupportAssignErrorTest.HandlesInvalidValue 18: [ OK ] TreeValueSupportAssignErrorTest.HandlesInvalidValue (0 ms) 18: [----------] 1 test from TreeValueSupportAssignErrorTest (0 ms total) 18: 18: [----------] 5 tests from TreeValueSupportCheckTest 18: [ RUN ] TreeValueSupportCheckTest.HandlesEmpty 18: [ OK ] TreeValueSupportCheckTest.HandlesEmpty (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.HandlesMatchingTree 18: [ OK ] TreeValueSupportCheckTest.HandlesMatchingTree (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.HandlesSmallerTree1 18: [ OK ] TreeValueSupportCheckTest.HandlesSmallerTree1 (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.HandlesSmallerTree2 18: [ OK ] TreeValueSupportCheckTest.HandlesSmallerTree2 (0 ms) 18: [ RUN ] TreeValueSupportCheckTest.DetectsExtraValue 18: [ OK ] TreeValueSupportCheckTest.DetectsExtraValue (0 ms) 18: [----------] 5 tests from TreeValueSupportCheckTest (0 ms total) 18: 18: [----------] 6 tests from TreeValueSupportAdjustTest 18: [ RUN ] TreeValueSupportAdjustTest.FillsDefaultValues 18: [ OK ] TreeValueSupportAdjustTest.FillsDefaultValues (1 ms) 18: [ RUN ] TreeValueSupportAdjustTest.FillsDefaultVectorValues 18: [ OK ] TreeValueSupportAdjustTest.FillsDefaultVectorValues (0 ms) 18: [ RUN ] TreeValueSupportAdjustTest.FillsDefaultObjectValues 18: [ OK ] TreeValueSupportAdjustTest.FillsDefaultObjectValues (0 ms) 18: [ RUN ] TreeValueSupportAdjustTest.NormalizesValues 18: [ OK ] TreeValueSupportAdjustTest.NormalizesValues (0 ms) 18: [ RUN ] TreeValueSupportAdjustTest.MergesDefaultValues 18: [ OK ] TreeValueSupportAdjustTest.MergesDefaultValues (0 ms) 18: [ RUN ] TreeValueSupportAdjustTest.OrdersValues 18: [ OK ] TreeValueSupportAdjustTest.OrdersValues (0 ms) 18: [----------] 6 tests from TreeValueSupportAdjustTest (1 ms total) 18: 18: [----------] 8 tests from TreeValueSupportTest 18: [ RUN ] TreeValueSupportTest.SupportsBooleanOption 18: [ OK ] TreeValueSupportTest.SupportsBooleanOption (1 ms) 18: [ RUN ] TreeValueSupportTest.SupportsIntegerOption 18: [ OK ] TreeValueSupportTest.SupportsIntegerOption (0 ms) 18: [ RUN ] TreeValueSupportTest.SupportsInt64Option 18: [ OK ] TreeValueSupportTest.SupportsInt64Option (0 ms) 18: [ RUN ] TreeValueSupportTest.SupportsStringOption 18: [ OK ] TreeValueSupportTest.SupportsStringOption (0 ms) 18: [ RUN ] TreeValueSupportTest.SupportsFloatOption 18: [ OK ] TreeValueSupportTest.SupportsFloatOption (1 ms) 18: [ RUN ] TreeValueSupportTest.SupportsDoubleOption 18: [ OK ] TreeValueSupportTest.SupportsDoubleOption (0 ms) 18: [ RUN ] TreeValueSupportTest.SupportsEnumIntOption 18: [ OK ] TreeValueSupportTest.SupportsEnumIntOption (0 ms) 18: [ RUN ] TreeValueSupportTest.SupportsEnumOption 18: [ OK ] TreeValueSupportTest.SupportsEnumOption (0 ms) 18: [----------] 8 tests from TreeValueSupportTest (2 ms total) 18: 18: [----------] Global test environment tear-down 18: [==========] 110 tests from 18 test cases ran. (8 ms total) 18: [ PASSED ] 110 tests. 18/30 Test #18: OptionsUnitTests ................. Passed 0.70 sec test 19 Start 19: PbcutilUnitTest 19: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/pbcutil-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/PbcutilUnitTest.xml" 19: Test timeout computed to be: 30 19: [==========] Running 3 tests from 2 test cases. 19: [----------] Global test environment set-up. 19: [----------] 1 test from PbcTest 19: [ RUN ] PbcTest.CalcShiftsWorks 19: [ OK ] PbcTest.CalcShiftsWorks (1 ms) 19: [----------] 1 test from PbcTest (1 ms total) 19: 19: [----------] 2 tests from PbcEnumsTest 19: [ RUN ] PbcEnumsTest.CenteringTypeNamesAreCorrect 19: [ OK ] PbcEnumsTest.CenteringTypeNamesAreCorrect (0 ms) 19: [ RUN ] PbcEnumsTest.UnitCellTypeNamesAreCorrect 19: [ OK ] PbcEnumsTest.UnitCellTypeNamesAreCorrect (0 ms) 19: [----------] 2 tests from PbcEnumsTest (0 ms total) 19: 19: [----------] Global test environment tear-down 19: [==========] 3 tests from 2 test cases ran. (1 ms total) 19: [ PASSED ] 3 tests. 19/30 Test #19: PbcutilUnitTest .................. Passed 0.79 sec test 20 Start 20: RandomUnitTests 20: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/random-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/RandomUnitTests.xml" 20: Test timeout computed to be: 30 20: [==========] Running 44 tests from 10 test cases. 20: [----------] Global test environment set-up. 20: [----------] 4 tests from ExponentialDistributionTest 20: [ RUN ] ExponentialDistributionTest.Output 20: [ OK ] ExponentialDistributionTest.Output (0 ms) 20: [ RUN ] ExponentialDistributionTest.Logical 20: [ OK ] ExponentialDistributionTest.Logical (0 ms) 20: [ RUN ] ExponentialDistributionTest.Reset 20: [ OK ] ExponentialDistributionTest.Reset (0 ms) 20: [ RUN ] ExponentialDistributionTest.AltParam 20: [ OK ] ExponentialDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from ExponentialDistributionTest (0 ms total) 20: 20: [----------] 4 tests from GammaDistributionTest 20: [ RUN ] GammaDistributionTest.Output 20: [ OK ] GammaDistributionTest.Output (1 ms) 20: [ RUN ] GammaDistributionTest.Logical 20: [ OK ] GammaDistributionTest.Logical (0 ms) 20: [ RUN ] GammaDistributionTest.Reset 20: [ OK ] GammaDistributionTest.Reset (0 ms) 20: [ RUN ] GammaDistributionTest.AltParam 20: [ OK ] GammaDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from GammaDistributionTest (1 ms total) 20: 20: [----------] 4 tests from NormalDistributionTest 20: [ RUN ] NormalDistributionTest.Output 20: [ OK ] NormalDistributionTest.Output (0 ms) 20: [ RUN ] NormalDistributionTest.Logical 20: [ OK ] NormalDistributionTest.Logical (0 ms) 20: [ RUN ] NormalDistributionTest.Reset 20: [ OK ] NormalDistributionTest.Reset (0 ms) 20: [ RUN ] NormalDistributionTest.AltParam 20: [ OK ] NormalDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from NormalDistributionTest (0 ms total) 20: 20: [----------] 1 test from SeedTest 20: [ RUN ] SeedTest.makeRandomSeed 20: [ OK ] SeedTest.makeRandomSeed (0 ms) 20: [----------] 1 test from SeedTest (0 ms total) 20: 20: [----------] 6 tests from TabulatedNormalDistributionTest 20: [ RUN ] TabulatedNormalDistributionTest.Output14 20: [ OK ] TabulatedNormalDistributionTest.Output14 (0 ms) 20: [ RUN ] TabulatedNormalDistributionTest.Output16 20: [ OK ] TabulatedNormalDistributionTest.Output16 (1 ms) 20: [ RUN ] TabulatedNormalDistributionTest.OutputDouble14 20: [ OK ] TabulatedNormalDistributionTest.OutputDouble14 (0 ms) 20: [ RUN ] TabulatedNormalDistributionTest.Logical 20: [ OK ] TabulatedNormalDistributionTest.Logical (0 ms) 20: [ RUN ] TabulatedNormalDistributionTest.Reset 20: [ OK ] TabulatedNormalDistributionTest.Reset (0 ms) 20: [ RUN ] TabulatedNormalDistributionTest.AltParam 20: [ OK ] TabulatedNormalDistributionTest.AltParam (0 ms) 20: [----------] 6 tests from TabulatedNormalDistributionTest (1 ms total) 20: 20: [----------] 1 test from TabulatedNormalDistributionTableTest 20: [ RUN ] TabulatedNormalDistributionTableTest.HasValidProperties 20: [ OK ] TabulatedNormalDistributionTableTest.HasValidProperties (2 ms) 20: [----------] 1 test from TabulatedNormalDistributionTableTest (2 ms total) 20: 20: [----------] 6 tests from ThreeFry2x64Test 20: [ RUN ] ThreeFry2x64Test.Logical 20: [ OK ] ThreeFry2x64Test.Logical (0 ms) 20: [ RUN ] ThreeFry2x64Test.InternalCounterSequence 20: [ OK ] ThreeFry2x64Test.InternalCounterSequence (1 ms) 20: [ RUN ] ThreeFry2x64Test.Reseed 20: [ OK ] ThreeFry2x64Test.Reseed (0 ms) 20: [ RUN ] ThreeFry2x64Test.Discard 20: [ OK ] ThreeFry2x64Test.Discard (0 ms) 20: [ RUN ] ThreeFry2x64Test.InvalidCounter 20: [ OK ] ThreeFry2x64Test.InvalidCounter (0 ms) 20: [ RUN ] ThreeFry2x64Test.ExhaustInternalCounter 20: [ OK ] ThreeFry2x64Test.ExhaustInternalCounter (0 ms) 20: [----------] 6 tests from ThreeFry2x64Test (1 ms total) 20: 20: [----------] 4 tests from UniformIntDistributionTest 20: [ RUN ] UniformIntDistributionTest.Output 20: [ OK ] UniformIntDistributionTest.Output (0 ms) 20: [ RUN ] UniformIntDistributionTest.Logical 20: [ OK ] UniformIntDistributionTest.Logical (0 ms) 20: [ RUN ] UniformIntDistributionTest.Reset 20: [ OK ] UniformIntDistributionTest.Reset (0 ms) 20: [ RUN ] UniformIntDistributionTest.AltParam 20: [ OK ] UniformIntDistributionTest.AltParam (0 ms) 20: [----------] 4 tests from UniformIntDistributionTest (0 ms total) 20: 20: [----------] 5 tests from UniformRealDistributionTest 20: [ RUN ] UniformRealDistributionTest.GenerateCanonical 20: [ OK ] UniformRealDistributionTest.GenerateCanonical (0 ms) 20: [ RUN ] UniformRealDistributionTest.Output 20: [ OK ] UniformRealDistributionTest.Output (1 ms) 20: [ RUN ] UniformRealDistributionTest.Logical 20: [ OK ] UniformRealDistributionTest.Logical (0 ms) 20: [ RUN ] UniformRealDistributionTest.Reset 20: [ OK ] UniformRealDistributionTest.Reset (0 ms) 20: [ RUN ] UniformRealDistributionTest.AltParam 20: [ OK ] UniformRealDistributionTest.AltParam (0 ms) 20: [----------] 5 tests from UniformRealDistributionTest (1 ms total) 20: 20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Default/0 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Default/0 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Default/1 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Default/1 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Default/2 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Default/2 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Fast/0 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/0 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Fast/1 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/1 (1 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Fast/2 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Fast/2 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/0 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/0 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/1 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/1 (0 ms) 20: [ RUN ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2 20: [ OK ] KnownAnswersTest/ThreeFry2x64Test.Using40Rounds/2 (0 ms) 20: [----------] 9 tests from KnownAnswersTest/ThreeFry2x64Test (1 ms total) 20: 20: [----------] Global test environment tear-down 20: [==========] 44 tests from 10 test cases ran. (7 ms total) 20: [ PASSED ] 44 tests. 20/30 Test #20: RandomUnitTests .................. Passed 0.67 sec test 21 Start 21: RestraintTests 21: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/restraintpotential-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/RestraintTests.xml" 21: Test timeout computed to be: 30 21: [==========] Running 1 test from 1 test case. 21: [----------] Global test environment set-up. 21: [----------] 1 test from RestraintManager 21: [ RUN ] RestraintManager.restraintList 21: [ OK ] RestraintManager.restraintList (0 ms) 21: [----------] 1 test from RestraintManager (0 ms total) 21: 21: [----------] Global test environment tear-down 21: [==========] 1 test from 1 test case ran. (0 ms total) 21: [ PASSED ] 1 test. 21/30 Test #21: RestraintTests ................... Passed 0.59 sec test 22 Start 22: TableUnitTests 22: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/table-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/TableUnitTests.xml" 22: Test timeout computed to be: 30 22: [==========] Running 20 tests from 2 test cases. 22: [----------] Global test environment set-up. 22: [----------] 10 tests from SplineTableTest/0, where TypeParam = gmx::QuadraticSplineTable 22: [ RUN ] SplineTableTest/0.HandlesIncorrectInput 22: [ OK ] SplineTableTest/0.HandlesIncorrectInput (3 ms) 22: [ RUN ] SplineTableTest/0.Sinc 22: [ OK ] SplineTableTest/0.Sinc (1 ms) 22: [ RUN ] SplineTableTest/0.LJ12 22: [ OK ] SplineTableTest/0.LJ12 (24 ms) 22: [ RUN ] SplineTableTest/0.PmeCorrection 22: [ OK ] SplineTableTest/0.PmeCorrection (2 ms) 22: [ RUN ] SplineTableTest/0.HandlesIncorrectNumericalInput 22: [ OK ] SplineTableTest/0.HandlesIncorrectNumericalInput (0 ms) 22: [ RUN ] SplineTableTest/0.NumericalInputPmeCorr 22: [ OK ] SplineTableTest/0.NumericalInputPmeCorr (2 ms) 22: [ RUN ] SplineTableTest/0.TwoFunctions 22: [ OK ] SplineTableTest/0.TwoFunctions (48 ms) 22: [ RUN ] SplineTableTest/0.ThreeFunctions 22: [ OK ] SplineTableTest/0.ThreeFunctions (80 ms) 22: [ RUN ] SplineTableTest/0.Simd 22: [ OK ] SplineTableTest/0.Simd (11 ms) 22: [ RUN ] SplineTableTest/0.SimdTwoFunctions 22: [ OK ] SplineTableTest/0.SimdTwoFunctions (69 ms) 22: [----------] 10 tests from SplineTableTest/0 (241 ms total) 22: 22: [----------] 10 tests from SplineTableTest/1, where TypeParam = gmx::CubicSplineTable 22: [ RUN ] SplineTableTest/1.HandlesIncorrectInput 22: [ OK ] SplineTableTest/1.HandlesIncorrectInput (1 ms) 22: [ RUN ] SplineTableTest/1.Sinc 22: [ OK ] SplineTableTest/1.Sinc (1 ms) 22: [ RUN ] SplineTableTest/1.LJ12 22: [ OK ] SplineTableTest/1.LJ12 (4 ms) 22: [ RUN ] SplineTableTest/1.PmeCorrection 22: [ OK ] SplineTableTest/1.PmeCorrection (1 ms) 22: [ RUN ] SplineTableTest/1.HandlesIncorrectNumericalInput 22: [ OK ] SplineTableTest/1.HandlesIncorrectNumericalInput (1 ms) 22: [ RUN ] SplineTableTest/1.NumericalInputPmeCorr 22: [ OK ] SplineTableTest/1.NumericalInputPmeCorr (2 ms) 22: [ RUN ] SplineTableTest/1.TwoFunctions 22: [ OK ] SplineTableTest/1.TwoFunctions (6 ms) 22: [ RUN ] SplineTableTest/1.ThreeFunctions 22: [ OK ] SplineTableTest/1.ThreeFunctions (8 ms) 22: [ RUN ] SplineTableTest/1.Simd 22: [ OK ] SplineTableTest/1.Simd (2 ms) 22: [ RUN ] SplineTableTest/1.SimdTwoFunctions 22: [ OK ] SplineTableTest/1.SimdTwoFunctions (6 ms) 22: [----------] 10 tests from SplineTableTest/1 (32 ms total) 22: 22: [----------] Global test environment tear-down 22: [==========] 20 tests from 2 test cases ran. (274 ms total) 22: [ PASSED ] 20 tests. 22/30 Test #22: TableUnitTests ................... Passed 1.10 sec test 23 Start 23: TaskAssignmentUnitTests 23: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/taskassignment-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/TaskAssignmentUnitTests.xml" 23: Test timeout computed to be: 30 23: [==========] Running 3 tests from 2 test cases. 23: [----------] Global test environment set-up. 23: [----------] 2 tests from UserTaskAssignmentStringHandlingTest 23: [ RUN ] UserTaskAssignmentStringHandlingTest.ParsingAndReconstructionWork 23: [ OK ] UserTaskAssignmentStringHandlingTest.ParsingAndReconstructionWork (0 ms) 23: [ RUN ] UserTaskAssignmentStringHandlingTest.EmptyStringCanBeValid 23: [ OK ] UserTaskAssignmentStringHandlingTest.EmptyStringCanBeValid (0 ms) 23: [----------] 2 tests from UserTaskAssignmentStringHandlingTest (0 ms total) 23: 23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest 23: [ RUN ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow 23: [ OK ] GpuIdAndAssignmentStringHandlingTest.InvalidInputsThrow (1 ms) 23: [----------] 1 test from GpuIdAndAssignmentStringHandlingTest (1 ms total) 23: 23: [----------] Global test environment tear-down 23: [==========] 3 tests from 2 test cases ran. (1 ms total) 23: [ PASSED ] 3 tests. 23/30 Test #23: TaskAssignmentUnitTests .......... Passed 0.70 sec test 24 Start 24: TopologyTest 24: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/topology-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/TopologyTest.xml" 24: Test timeout computed to be: 30 24: [==========] Running 11 tests from 3 test cases. 24: [----------] Global test environment set-up. 24: [----------] 3 tests from ExclusionBlockTest 24: [ RUN ] ExclusionBlockTest.ConvertBlockAToExclusionBlocks 24: [ OK ] ExclusionBlockTest.ConvertBlockAToExclusionBlocks (0 ms) 24: [ RUN ] ExclusionBlockTest.ConvertExclusionBlockToBlocka 24: [ OK ] ExclusionBlockTest.ConvertExclusionBlockToBlocka (0 ms) 24: [ RUN ] ExclusionBlockTest.MergeExclusions 24: [ OK ] ExclusionBlockTest.MergeExclusions (0 ms) 24: [----------] 3 tests from ExclusionBlockTest (0 ms total) 24: 24: [----------] 2 tests from MtopTest 24: [ RUN ] MtopTest.RangeBasedLoop 24: [ OK ] MtopTest.RangeBasedLoop (0 ms) 24: [ RUN ] MtopTest.Operators 24: [ OK ] MtopTest.Operators (0 ms) 24: [----------] 2 tests from MtopTest (0 ms total) 24: 24: [----------] 6 tests from SymtabTest 24: [ RUN ] SymtabTest.EmptyOnOpen 24: [ OK ] SymtabTest.EmptyOnOpen (1 ms) 24: [ RUN ] SymtabTest.AddSingleEntry 24: [ OK ] SymtabTest.AddSingleEntry (0 ms) 24: [ RUN ] SymtabTest.AddTwoDistinctEntries 24: [ OK ] SymtabTest.AddTwoDistinctEntries (0 ms) 24: [ RUN ] SymtabTest.TryToAddDuplicates 24: [ OK ] SymtabTest.TryToAddDuplicates (0 ms) 24: [ RUN ] SymtabTest.AddLargeNumberOfEntries 24: [ OK ] SymtabTest.AddLargeNumberOfEntries (0 ms) 24: [ RUN ] SymtabTest.NoDuplicatesInLargeTable 24: [ OK ] SymtabTest.NoDuplicatesInLargeTable (0 ms) 24: [----------] 6 tests from SymtabTest (1 ms total) 24: 24: [----------] Global test environment tear-down 24: [==========] 11 tests from 3 test cases ran. (1 ms total) 24: [ PASSED ] 11 tests. 24/30 Test #24: TopologyTest ..................... Passed 0.70 sec test 25 Start 25: PullTest 25: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/pull-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/PullTest.xml" 25: Test timeout computed to be: 30 25: [==========] Running 5 tests from 1 test case. 25: [----------] Global test environment set-up. 25: [----------] 5 tests from PullTest 25: [ RUN ] PullTest.MaxPullDistanceXyzScrewBox 25: [ OK ] PullTest.MaxPullDistanceXyzScrewBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXyzCubicBox 25: [ OK ] PullTest.MaxPullDistanceXyzCubicBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXyzTricBox 25: [ OK ] PullTest.MaxPullDistanceXyzTricBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXyzLongBox 25: [ OK ] PullTest.MaxPullDistanceXyzLongBox (0 ms) 25: [ RUN ] PullTest.MaxPullDistanceXySkewedBox 25: [ OK ] PullTest.MaxPullDistanceXySkewedBox (0 ms) 25: [----------] 5 tests from PullTest (0 ms total) 25: 25: [----------] Global test environment tear-down 25: [==========] 5 tests from 1 test case ran. (0 ms total) 25: [ PASSED ] 5 tests. 25/30 Test #25: PullTest ......................... Passed 0.74 sec test 26 Start 26: AwhTest 26: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/awh-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/AwhTest.xml" 26: Test timeout computed to be: 30 26: [==========] Running 12 tests from 4 test cases. 26: [----------] Global test environment set-up. 26: [----------] 1 test from BiasTest 26: [ RUN ] BiasTest.DetectsCovering 26: [ OK ] BiasTest.DetectsCovering (1 ms) 26: [----------] 1 test from BiasTest (1 ms total) 26: 26: [----------] 1 test from gridTest 26: [ RUN ] gridTest.neighborhood 26: [ OK ] gridTest.neighborhood (2 ms) 26: [----------] 1 test from gridTest (2 ms total) 26: 26: [----------] 8 tests from WithParameters/BiasTest 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/0 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/0 (0 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/1 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/1 (27 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/2 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/2 (35 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/3 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/3 (0 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/4 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/4 (1 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/5 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/5 (0 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/6 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/6 (0 ms) 26: [ RUN ] WithParameters/BiasTest.ForcesBiasPmf/7 26: [ OK ] WithParameters/BiasTest.ForcesBiasPmf/7 (1 ms) 26: [----------] 8 tests from WithParameters/BiasTest (64 ms total) 26: 26: [----------] 2 tests from WithParameters/BiasStateTest 26: [ RUN ] WithParameters/BiasStateTest.InitializesFromFile/0 26: [ OK ] WithParameters/BiasStateTest.InitializesFromFile/0 (0 ms) 26: [ RUN ] WithParameters/BiasStateTest.InitializesFromFile/1 26: [ OK ] WithParameters/BiasStateTest.InitializesFromFile/1 (6 ms) 26: [----------] 2 tests from WithParameters/BiasStateTest (6 ms total) 26: 26: [----------] Global test environment tear-down 26: [==========] 12 tests from 4 test cases ran. (73 ms total) 26: [ PASSED ] 12 tests. 26/30 Test #26: AwhTest .......................... Passed 0.79 sec test 27 Start 27: SimdUnitTests 27: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/simd-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/SimdUnitTests.xml" 27: Test timeout computed to be: 30 27: [==========] Running 288 tests from 22 test cases. 27: [----------] Global test environment set-up. 27: [----------] 9 tests from SimdBootstrapTest 27: [ RUN ] SimdBootstrapTest.loadStore 27: [ OK ] SimdBootstrapTest.loadStore (0 ms) 27: [ RUN ] SimdBootstrapTest.loadU 27: [ OK ] SimdBootstrapTest.loadU (0 ms) 27: [ RUN ] SimdBootstrapTest.storeU 27: [ OK ] SimdBootstrapTest.storeU (0 ms) 27: [ RUN ] SimdBootstrapTest.loadStoreI 27: [ OK ] SimdBootstrapTest.loadStoreI (0 ms) 27: [ RUN ] SimdBootstrapTest.loadUI 27: [ OK ] SimdBootstrapTest.loadUI (0 ms) 27: [ RUN ] SimdBootstrapTest.storeUI 27: [ OK ] SimdBootstrapTest.storeUI (0 ms) 27: [ RUN ] SimdBootstrapTest.simd4LoadStore 27: [ OK ] SimdBootstrapTest.simd4LoadStore (0 ms) 27: [ RUN ] SimdBootstrapTest.simd4LoadU 27: [ OK ] SimdBootstrapTest.simd4LoadU (0 ms) 27: [ RUN ] SimdBootstrapTest.simd4StoreU 27: [ OK ] SimdBootstrapTest.simd4StoreU (0 ms) 27: [----------] 9 tests from SimdBootstrapTest (0 ms total) 27: 27: [----------] 1 test from SimdTest 27: [ RUN ] SimdTest.GmxAligned 27: [ OK ] SimdTest.GmxAligned (0 ms) 27: [----------] 1 test from SimdTest (0 ms total) 27: 27: [----------] 42 tests from SimdFloatingpointTest 27: [ RUN ] SimdFloatingpointTest.setZero 27: [ OK ] SimdFloatingpointTest.setZero (0 ms) 27: [ RUN ] SimdFloatingpointTest.set 27: [ OK ] SimdFloatingpointTest.set (0 ms) 27: [ RUN ] SimdFloatingpointTest.add 27: [ OK ] SimdFloatingpointTest.add (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskAdd 27: [ OK ] SimdFloatingpointTest.maskAdd (0 ms) 27: [ RUN ] SimdFloatingpointTest.sub 27: [ OK ] SimdFloatingpointTest.sub (0 ms) 27: [ RUN ] SimdFloatingpointTest.mul 27: [ OK ] SimdFloatingpointTest.mul (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzMul 27: [ OK ] SimdFloatingpointTest.maskzMul (0 ms) 27: [ RUN ] SimdFloatingpointTest.fma 27: [ OK ] SimdFloatingpointTest.fma (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzFma 27: [ OK ] SimdFloatingpointTest.maskzFma (0 ms) 27: [ RUN ] SimdFloatingpointTest.fms 27: [ OK ] SimdFloatingpointTest.fms (0 ms) 27: [ RUN ] SimdFloatingpointTest.fnma 27: [ OK ] SimdFloatingpointTest.fnma (0 ms) 27: [ RUN ] SimdFloatingpointTest.fnms 27: [ OK ] SimdFloatingpointTest.fnms (0 ms) 27: [ RUN ] SimdFloatingpointTest.abs 27: [ OK ] SimdFloatingpointTest.abs (0 ms) 27: [ RUN ] SimdFloatingpointTest.neg 27: [ OK ] SimdFloatingpointTest.neg (0 ms) 27: [ RUN ] SimdFloatingpointTest.and 27: [ OK ] SimdFloatingpointTest.and (0 ms) 27: [ RUN ] SimdFloatingpointTest.or 27: [ OK ] SimdFloatingpointTest.or (0 ms) 27: [ RUN ] SimdFloatingpointTest.xor 27: [ OK ] SimdFloatingpointTest.xor (0 ms) 27: [ RUN ] SimdFloatingpointTest.andNot 27: [ OK ] SimdFloatingpointTest.andNot (0 ms) 27: [ RUN ] SimdFloatingpointTest.max 27: [ OK ] SimdFloatingpointTest.max (0 ms) 27: [ RUN ] SimdFloatingpointTest.min 27: [ OK ] SimdFloatingpointTest.min (0 ms) 27: [ RUN ] SimdFloatingpointTest.round 27: [ OK ] SimdFloatingpointTest.round (0 ms) 27: [ RUN ] SimdFloatingpointTest.roundMode 27: [ OK ] SimdFloatingpointTest.roundMode (0 ms) 27: [ RUN ] SimdFloatingpointTest.trunc 27: [ OK ] SimdFloatingpointTest.trunc (0 ms) 27: [ RUN ] SimdFloatingpointTest.frexp 27: [ OK ] SimdFloatingpointTest.frexp (0 ms) 27: [ RUN ] SimdFloatingpointTest.ldexp 27: [ OK ] SimdFloatingpointTest.ldexp (0 ms) 27: [ RUN ] SimdFloatingpointTest.rsqrt 27: [ OK ] SimdFloatingpointTest.rsqrt (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzRsqrt 27: [ OK ] SimdFloatingpointTest.maskzRsqrt (0 ms) 27: [ RUN ] SimdFloatingpointTest.rcp 27: [ OK ] SimdFloatingpointTest.rcp (0 ms) 27: [ RUN ] SimdFloatingpointTest.maskzRcp 27: [ OK ] SimdFloatingpointTest.maskzRcp (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpEqAndSelectByMask 27: [ OK ] SimdFloatingpointTest.cmpEqAndSelectByMask (0 ms) 27: [ RUN ] SimdFloatingpointTest.selectByNotMask 27: [ OK ] SimdFloatingpointTest.selectByNotMask (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpNe 27: [ OK ] SimdFloatingpointTest.cmpNe (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpLe 27: [ OK ] SimdFloatingpointTest.cmpLe (0 ms) 27: [ RUN ] SimdFloatingpointTest.cmpLt 27: [ OK ] SimdFloatingpointTest.cmpLt (0 ms) 27: [ RUN ] SimdFloatingpointTest.testBits 27: [ OK ] SimdFloatingpointTest.testBits (0 ms) 27: [ RUN ] SimdFloatingpointTest.andB 27: [ OK ] SimdFloatingpointTest.andB (0 ms) 27: [ RUN ] SimdFloatingpointTest.orB 27: [ OK ] SimdFloatingpointTest.orB (0 ms) 27: [ RUN ] SimdFloatingpointTest.anyTrueB 27: [ OK ] SimdFloatingpointTest.anyTrueB (0 ms) 27: [ RUN ] SimdFloatingpointTest.blend 27: [ OK ] SimdFloatingpointTest.blend (0 ms) 27: [ RUN ] SimdFloatingpointTest.reduce 27: [ OK ] SimdFloatingpointTest.reduce (0 ms) 27: [ RUN ] SimdFloatingpointTest.cvtFloat2Double 27: [ OK ] SimdFloatingpointTest.cvtFloat2Double (0 ms) 27: [ RUN ] SimdFloatingpointTest.cvtDouble2Float 27: [ OK ] SimdFloatingpointTest.cvtDouble2Float (0 ms) 27: [----------] 42 tests from SimdFloatingpointTest (0 ms total) 27: 27: [----------] 16 tests from SimdFloatingpointUtilTest 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadTranspose4 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadTranspose4 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadTranspose2 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadTranspose2 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadUTranspose3 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadUTranspose3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterStoreU3 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterStoreU3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterIncrU3 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterIncrU3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterIncrU3Overlapping 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterIncrU3Overlapping (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterDecrU3 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterDecrU3 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.transposeScatterDecrU3Overlapping 27: [ OK ] SimdFloatingpointUtilTest.transposeScatterDecrU3Overlapping (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.expandScalarsToTriplets 27: [ OK ] SimdFloatingpointUtilTest.expandScalarsToTriplets (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose4 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose4 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose2 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadBySimdIntTranspose2 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.gatherLoadUBySimdIntTranspose2 27: [ OK ] SimdFloatingpointUtilTest.gatherLoadUBySimdIntTranspose2 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.reduceIncr4Sum 27: [ OK ] SimdFloatingpointUtilTest.reduceIncr4Sum (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.loadUNDuplicate4 27: [ OK ] SimdFloatingpointUtilTest.loadUNDuplicate4 (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.load4DuplicateN 27: [ OK ] SimdFloatingpointUtilTest.load4DuplicateN (0 ms) 27: [ RUN ] SimdFloatingpointUtilTest.loadU4NOffset 27: [ OK ] SimdFloatingpointUtilTest.loadU4NOffset (0 ms) 27: [----------] 16 tests from SimdFloatingpointUtilTest (1 ms total) 27: 27: [----------] 3 tests from SimdVectorOperationsTest 27: [ RUN ] SimdVectorOperationsTest.iprod 27: [ OK ] SimdVectorOperationsTest.iprod (0 ms) 27: [ RUN ] SimdVectorOperationsTest.norm2 27: [ OK ] SimdVectorOperationsTest.norm2 (0 ms) 27: [ RUN ] SimdVectorOperationsTest.cprod 27: [ OK ] SimdVectorOperationsTest.cprod (0 ms) 27: [----------] 3 tests from SimdVectorOperationsTest (0 ms total) 27: 27: [----------] 56 tests from SimdMathTest 27: [ RUN ] SimdMathTest.generateTestPointsFloat 27: [ OK ] SimdMathTest.generateTestPointsFloat (0 ms) 27: [ RUN ] SimdMathTest.copysign 27: [ OK ] SimdMathTest.copysign (0 ms) 27: [ RUN ] SimdMathTest.invsqrt 27: [ OK ] SimdMathTest.invsqrt (0 ms) 27: [ RUN ] SimdMathTest.maskzInvsqrt 27: [ OK ] SimdMathTest.maskzInvsqrt (0 ms) 27: [ RUN ] SimdMathTest.invsqrtPair 27: [ OK ] SimdMathTest.invsqrtPair (1 ms) 27: [ RUN ] SimdMathTest.sqrt 27: [ OK ] SimdMathTest.sqrt (2 ms) 27: [ RUN ] SimdMathTest.sqrtUnsafe 27: [ OK ] SimdMathTest.sqrtUnsafe (0 ms) 27: [ RUN ] SimdMathTest.inv 27: [ OK ] SimdMathTest.inv (5 ms) 27: [ RUN ] SimdMathTest.maskzInv 27: [ OK ] SimdMathTest.maskzInv (0 ms) 27: [ RUN ] SimdMathTest.cbrt 27: [ OK ] SimdMathTest.cbrt (1 ms) 27: [ RUN ] SimdMathTest.invcbrt 27: [ OK ] SimdMathTest.invcbrt (3 ms) 27: [ RUN ] SimdMathTest.log2 27: [ OK ] SimdMathTest.log2 (1 ms) 27: [ RUN ] SimdMathTest.log 27: [ OK ] SimdMathTest.log (1 ms) 27: [ RUN ] SimdMathTest.exp2 27: [ OK ] SimdMathTest.exp2 (2 ms) 27: [ RUN ] SimdMathTest.exp2Unsafe 27: [ OK ] SimdMathTest.exp2Unsafe (1 ms) 27: [ RUN ] SimdMathTest.exp 27: [ OK ] SimdMathTest.exp (2 ms) 27: [ RUN ] SimdMathTest.expUnsafe 27: [ OK ] SimdMathTest.expUnsafe (2 ms) 27: [ RUN ] SimdMathTest.pow 27: [ OK ] SimdMathTest.pow (0 ms) 27: [ RUN ] SimdMathTest.powUnsafe 27: [ OK ] SimdMathTest.powUnsafe (0 ms) 27: [ RUN ] SimdMathTest.erf 27: [ OK ] SimdMathTest.erf (1 ms) 27: [ RUN ] SimdMathTest.erfc 27: [ OK ] SimdMathTest.erfc (2 ms) 27: [ RUN ] SimdMathTest.sin 27: [ OK ] SimdMathTest.sin (2 ms) 27: [ RUN ] SimdMathTest.cos 27: [ OK ] SimdMathTest.cos (3 ms) 27: [ RUN ] SimdMathTest.tan 27: [ OK ] SimdMathTest.tan (2 ms) 27: [ RUN ] SimdMathTest.asin 27: [ OK ] SimdMathTest.asin (1 ms) 27: [ RUN ] SimdMathTest.acos 27: [ OK ] SimdMathTest.acos (1 ms) 27: [ RUN ] SimdMathTest.atan 27: [ OK ] SimdMathTest.atan (1 ms) 27: [ RUN ] SimdMathTest.atan2 27: [ OK ] SimdMathTest.atan2 (0 ms) 27: [ RUN ] SimdMathTest.pmeForceCorrection 27: [ OK ] SimdMathTest.pmeForceCorrection (1 ms) 27: [ RUN ] SimdMathTest.pmePotentialCorrection 27: [ OK ] SimdMathTest.pmePotentialCorrection (2 ms) 27: [ RUN ] SimdMathTest.invsqrtSingleAccuracy 27: [ OK ] SimdMathTest.invsqrtSingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.invsqrtPairSingleAccuracy 27: [ OK ] SimdMathTest.invsqrtPairSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.sqrtSingleAccuracy 27: [ OK ] SimdMathTest.sqrtSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.sqrtSingleAccuracyUnsafe 27: [ OK ] SimdMathTest.sqrtSingleAccuracyUnsafe (0 ms) 27: [ RUN ] SimdMathTest.invSingleAccuracy 27: [ OK ] SimdMathTest.invSingleAccuracy (5 ms) 27: [ RUN ] SimdMathTest.cbrtSingleAccuracy 27: [ OK ] SimdMathTest.cbrtSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.invcbrtSingleAccuracy 27: [ OK ] SimdMathTest.invcbrtSingleAccuracy (3 ms) 27: [ RUN ] SimdMathTest.log2SingleAccuracy 27: [ OK ] SimdMathTest.log2SingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.logSingleAccuracy 27: [ OK ] SimdMathTest.logSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.exp2SingleAccuracy 27: [ OK ] SimdMathTest.exp2SingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.exp2SingleAccuracyUnsafe 27: [ OK ] SimdMathTest.exp2SingleAccuracyUnsafe (1 ms) 27: [ RUN ] SimdMathTest.expSingleAccuracy 27: [ OK ] SimdMathTest.expSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.expSingleAccuracyUnsafe 27: [ OK ] SimdMathTest.expSingleAccuracyUnsafe (14 ms) 27: [ RUN ] SimdMathTest.powSingleAccuracy 27: [ OK ] SimdMathTest.powSingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.powSingleAccuracyUnsafe 27: [ OK ] SimdMathTest.powSingleAccuracyUnsafe (0 ms) 27: [ RUN ] SimdMathTest.erfSingleAccuracy 27: [ OK ] SimdMathTest.erfSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.erfcSingleAccuracy 27: [ OK ] SimdMathTest.erfcSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.sinSingleAccuracy 27: [ OK ] SimdMathTest.sinSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.cosSingleAccuracy 27: [ OK ] SimdMathTest.cosSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.tanSingleAccuracy 27: [ OK ] SimdMathTest.tanSingleAccuracy (3 ms) 27: [ RUN ] SimdMathTest.asinSingleAccuracy 27: [ OK ] SimdMathTest.asinSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.acosSingleAccuracy 27: [ OK ] SimdMathTest.acosSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.atanSingleAccuracy 27: [ OK ] SimdMathTest.atanSingleAccuracy (1 ms) 27: [ RUN ] SimdMathTest.atan2SingleAccuracy 27: [ OK ] SimdMathTest.atan2SingleAccuracy (0 ms) 27: [ RUN ] SimdMathTest.pmeForceCorrectionSingleAccuracy 27: [ OK ] SimdMathTest.pmeForceCorrectionSingleAccuracy (2 ms) 27: [ RUN ] SimdMathTest.pmePotentialCorrectionSingleAccuracy 27: [ OK ] SimdMathTest.pmePotentialCorrectionSingleAccuracy (1 ms) 27: [----------] 56 tests from SimdMathTest (87 ms total) 27: 27: [----------] 1 test from EmptyArrayRefTest 27: [ RUN ] EmptyArrayRefTest.IsEmpty 27: [ OK ] EmptyArrayRefTest.IsEmpty (0 ms) 27: [----------] 1 test from EmptyArrayRefTest (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/0, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/0.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/0.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/0.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/0.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/0.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/0.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/0 (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/1, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/1.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/1.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/1.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/1.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/1.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/1.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/1 (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/2, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/2.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/2.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/2.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/2.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/2.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/2.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/2 (0 ms total) 27: 27: [----------] 3 tests from ArrayRefTest/3, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefTest/3.ConstructFromPointersWorks 27: [ OK ] ArrayRefTest/3.ConstructFromPointersWorks (0 ms) 27: [ RUN ] ArrayRefTest/3.ConstructFromArrayRefWorks 27: [ OK ] ArrayRefTest/3.ConstructFromArrayRefWorks (0 ms) 27: [ RUN ] ArrayRefTest/3.ConstructFromArrayWorks 27: [ OK ] ArrayRefTest/3.ConstructFromArrayWorks (0 ms) 27: [----------] 3 tests from ArrayRefTest/3 (0 ms total) 27: 27: [----------] 1 test from ArrayRefReadWriteTest/0, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefReadWriteTest/0.Assignment 27: [ OK ] ArrayRefReadWriteTest/0.Assignment (0 ms) 27: [----------] 1 test from ArrayRefReadWriteTest/0 (0 ms total) 27: 27: [----------] 1 test from ArrayRefReadWriteTest/1, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefReadWriteTest/1.Assignment 27: [ OK ] ArrayRefReadWriteTest/1.Assignment (0 ms) 27: [----------] 1 test from ArrayRefReadWriteTest/1 (0 ms total) 27: 27: [----------] 1 test from ArrayRefArithmeticTest/0, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefArithmeticTest/0.Basic 27: [ OK ] ArrayRefArithmeticTest/0.Basic (0 ms) 27: [----------] 1 test from ArrayRefArithmeticTest/0 (0 ms total) 27: 27: [----------] 1 test from ArrayRefArithmeticTest/1, where TypeParam = gmx::ArrayRef 27: [ RUN ] ArrayRefArithmeticTest/1.Basic 27: [ OK ] ArrayRefArithmeticTest/1.Basic (0 ms) 27: [----------] 1 test from ArrayRefArithmeticTest/1 (0 ms total) 27: 27: [----------] 23 tests from SimdIntegerTest 27: [ RUN ] SimdIntegerTest.setZero 27: [ OK ] SimdIntegerTest.setZero (0 ms) 27: [ RUN ] SimdIntegerTest.set 27: [ OK ] SimdIntegerTest.set (0 ms) 27: [ RUN ] SimdIntegerTest.add 27: [ OK ] SimdIntegerTest.add (0 ms) 27: [ RUN ] SimdIntegerTest.sub 27: [ OK ] SimdIntegerTest.sub (0 ms) 27: [ RUN ] SimdIntegerTest.mul 27: [ OK ] SimdIntegerTest.mul (0 ms) 27: [ RUN ] SimdIntegerTest.and 27: [ OK ] SimdIntegerTest.and (0 ms) 27: [ RUN ] SimdIntegerTest.andNot 27: [ OK ] SimdIntegerTest.andNot (0 ms) 27: [ RUN ] SimdIntegerTest.or 27: [ OK ] SimdIntegerTest.or (0 ms) 27: [ RUN ] SimdIntegerTest.xor 27: [ OK ] SimdIntegerTest.xor (0 ms) 27: [ RUN ] SimdIntegerTest.extract 27: [ OK ] SimdIntegerTest.extract (0 ms) 27: [ RUN ] SimdIntegerTest.cvtR2I 27: [ OK ] SimdIntegerTest.cvtR2I (0 ms) 27: [ RUN ] SimdIntegerTest.cvttR2I 27: [ OK ] SimdIntegerTest.cvttR2I (0 ms) 27: [ RUN ] SimdIntegerTest.cvtI2R 27: [ OK ] SimdIntegerTest.cvtI2R (0 ms) 27: [ RUN ] SimdIntegerTest.cmpEqAndSelectMask 27: [ OK ] SimdIntegerTest.cmpEqAndSelectMask (0 ms) 27: [ RUN ] SimdIntegerTest.cmpEqAndSelectNotMask 27: [ OK ] SimdIntegerTest.cmpEqAndSelectNotMask (0 ms) 27: [ RUN ] SimdIntegerTest.cmpLt 27: [ OK ] SimdIntegerTest.cmpLt (0 ms) 27: [ RUN ] SimdIntegerTest.testBits 27: [ OK ] SimdIntegerTest.testBits (0 ms) 27: [ RUN ] SimdIntegerTest.andB 27: [ OK ] SimdIntegerTest.andB (0 ms) 27: [ RUN ] SimdIntegerTest.orB 27: [ OK ] SimdIntegerTest.orB (0 ms) 27: [ RUN ] SimdIntegerTest.anyTrue 27: [ OK ] SimdIntegerTest.anyTrue (0 ms) 27: [ RUN ] SimdIntegerTest.blend 27: [ OK ] SimdIntegerTest.blend (0 ms) 27: [ RUN ] SimdIntegerTest.cvtB2IB 27: [ OK ] SimdIntegerTest.cvtB2IB (0 ms) 27: [ RUN ] SimdIntegerTest.cvtIB2B 27: [ OK ] SimdIntegerTest.cvtIB2B (0 ms) 27: [----------] 23 tests from SimdIntegerTest (0 ms total) 27: 27: [----------] 32 tests from Simd4FloatingpointTest 27: [ RUN ] Simd4FloatingpointTest.setZero 27: [ OK ] Simd4FloatingpointTest.setZero (0 ms) 27: [ RUN ] Simd4FloatingpointTest.set 27: [ OK ] Simd4FloatingpointTest.set (0 ms) 27: [ RUN ] Simd4FloatingpointTest.add 27: [ OK ] Simd4FloatingpointTest.add (0 ms) 27: [ RUN ] Simd4FloatingpointTest.sub 27: [ OK ] Simd4FloatingpointTest.sub (0 ms) 27: [ RUN ] Simd4FloatingpointTest.mul 27: [ OK ] Simd4FloatingpointTest.mul (0 ms) 27: [ RUN ] Simd4FloatingpointTest.fma 27: [ OK ] Simd4FloatingpointTest.fma (0 ms) 27: [ RUN ] Simd4FloatingpointTest.fms 27: [ OK ] Simd4FloatingpointTest.fms (0 ms) 27: [ RUN ] Simd4FloatingpointTest.fnma 27: [ OK ] Simd4FloatingpointTest.fnma (0 ms) 27: [ RUN ] Simd4FloatingpointTest.fnms 27: [ OK ] Simd4FloatingpointTest.fnms (0 ms) 27: [ RUN ] Simd4FloatingpointTest.abs 27: [ OK ] Simd4FloatingpointTest.abs (0 ms) 27: [ RUN ] Simd4FloatingpointTest.neg 27: [ OK ] Simd4FloatingpointTest.neg (0 ms) 27: [ RUN ] Simd4FloatingpointTest.and 27: [ OK ] Simd4FloatingpointTest.and (0 ms) 27: [ RUN ] Simd4FloatingpointTest.or 27: [ OK ] Simd4FloatingpointTest.or (0 ms) 27: [ RUN ] Simd4FloatingpointTest.xor 27: [ OK ] Simd4FloatingpointTest.xor (0 ms) 27: [ RUN ] Simd4FloatingpointTest.andNot 27: [ OK ] Simd4FloatingpointTest.andNot (0 ms) 27: [ RUN ] Simd4FloatingpointTest.max 27: [ OK ] Simd4FloatingpointTest.max (0 ms) 27: [ RUN ] Simd4FloatingpointTest.min 27: [ OK ] Simd4FloatingpointTest.min (0 ms) 27: [ RUN ] Simd4FloatingpointTest.round 27: [ OK ] Simd4FloatingpointTest.round (0 ms) 27: [ RUN ] Simd4FloatingpointTest.trunc 27: [ OK ] Simd4FloatingpointTest.trunc (0 ms) 27: [ RUN ] Simd4FloatingpointTest.gmxSimd4RsqrtR 27: [ OK ] Simd4FloatingpointTest.gmxSimd4RsqrtR (0 ms) 27: [ RUN ] Simd4FloatingpointTest.cmpEqAndSelectByMask 27: [ OK ] Simd4FloatingpointTest.cmpEqAndSelectByMask (0 ms) 27: [ RUN ] Simd4FloatingpointTest.selectByNotMask 27: [ OK ] Simd4FloatingpointTest.selectByNotMask (0 ms) 27: [ RUN ] Simd4FloatingpointTest.cmpNe 27: [ OK ] Simd4FloatingpointTest.cmpNe (0 ms) 27: [ RUN ] Simd4FloatingpointTest.cmpLe 27: [ OK ] Simd4FloatingpointTest.cmpLe (0 ms) 27: [ RUN ] Simd4FloatingpointTest.cmpLt 27: [ OK ] Simd4FloatingpointTest.cmpLt (0 ms) 27: [ RUN ] Simd4FloatingpointTest.andB 27: [ OK ] Simd4FloatingpointTest.andB (0 ms) 27: [ RUN ] Simd4FloatingpointTest.orB 27: [ OK ] Simd4FloatingpointTest.orB (0 ms) 27: [ RUN ] Simd4FloatingpointTest.anyTrue 27: [ OK ] Simd4FloatingpointTest.anyTrue (0 ms) 27: [ RUN ] Simd4FloatingpointTest.blend 27: [ OK ] Simd4FloatingpointTest.blend (0 ms) 27: [ RUN ] Simd4FloatingpointTest.reduce 27: [ OK ] Simd4FloatingpointTest.reduce (0 ms) 27: [ RUN ] Simd4FloatingpointTest.dotProduct 27: [ OK ] Simd4FloatingpointTest.dotProduct (0 ms) 27: [ RUN ] Simd4FloatingpointTest.transpose 27: [ OK ] Simd4FloatingpointTest.transpose (0 ms) 27: [----------] 32 tests from Simd4FloatingpointTest (1 ms total) 27: 27: [----------] 1 test from Simd4VectorOperationsTest 27: [ RUN ] Simd4VectorOperationsTest.norm2 27: [ OK ] Simd4VectorOperationsTest.norm2 (0 ms) 27: [----------] 1 test from Simd4VectorOperationsTest (0 ms total) 27: 27: [----------] 2 tests from Simd4MathTest 27: [ RUN ] Simd4MathTest.invsqrt 27: [ OK ] Simd4MathTest.invsqrt (0 ms) 27: [ RUN ] Simd4MathTest.invsqrtSingleAccuracy 27: [ OK ] Simd4MathTest.invsqrtSingleAccuracy (0 ms) 27: [----------] 2 tests from Simd4MathTest (0 ms total) 27: 27: [----------] 41 tests from SimdScalarTest 27: [ RUN ] SimdScalarTest.load 27: [ OK ] SimdScalarTest.load (0 ms) 27: [ RUN ] SimdScalarTest.loadU 27: [ OK ] SimdScalarTest.loadU (0 ms) 27: [ RUN ] SimdScalarTest.store 27: [ OK ] SimdScalarTest.store (0 ms) 27: [ RUN ] SimdScalarTest.storeU 27: [ OK ] SimdScalarTest.storeU (0 ms) 27: [ RUN ] SimdScalarTest.setZero 27: [ OK ] SimdScalarTest.setZero (0 ms) 27: [ RUN ] SimdScalarTest.andNot 27: [ OK ] SimdScalarTest.andNot (0 ms) 27: [ RUN ] SimdScalarTest.fma 27: [ OK ] SimdScalarTest.fma (0 ms) 27: [ RUN ] SimdScalarTest.fms 27: [ OK ] SimdScalarTest.fms (0 ms) 27: [ RUN ] SimdScalarTest.fnma 27: [ OK ] SimdScalarTest.fnma (0 ms) 27: [ RUN ] SimdScalarTest.fnms 27: [ OK ] SimdScalarTest.fnms (0 ms) 27: [ RUN ] SimdScalarTest.maskAdd 27: [ OK ] SimdScalarTest.maskAdd (0 ms) 27: [ RUN ] SimdScalarTest.maskzMul 27: [ OK ] SimdScalarTest.maskzMul (0 ms) 27: [ RUN ] SimdScalarTest.maskzFma 27: [ OK ] SimdScalarTest.maskzFma (0 ms) 27: [ RUN ] SimdScalarTest.abs 27: [ OK ] SimdScalarTest.abs (0 ms) 27: [ RUN ] SimdScalarTest.max 27: [ OK ] SimdScalarTest.max (0 ms) 27: [ RUN ] SimdScalarTest.min 27: [ OK ] SimdScalarTest.min (0 ms) 27: [ RUN ] SimdScalarTest.round 27: [ OK ] SimdScalarTest.round (0 ms) 27: [ RUN ] SimdScalarTest.trunc 27: [ OK ] SimdScalarTest.trunc (0 ms) 27: [ RUN ] SimdScalarTest.reduce 27: [ OK ] SimdScalarTest.reduce (0 ms) 27: [ RUN ] SimdScalarTest.testBits 27: [ OK ] SimdScalarTest.testBits (0 ms) 27: [ RUN ] SimdScalarTest.anyTrue 27: [ OK ] SimdScalarTest.anyTrue (0 ms) 27: [ RUN ] SimdScalarTest.selectByMask 27: [ OK ] SimdScalarTest.selectByMask (0 ms) 27: [ RUN ] SimdScalarTest.selectByNotMask 27: [ OK ] SimdScalarTest.selectByNotMask (0 ms) 27: [ RUN ] SimdScalarTest.blend 27: [ OK ] SimdScalarTest.blend (0 ms) 27: [ RUN ] SimdScalarTest.cvtR2I 27: [ OK ] SimdScalarTest.cvtR2I (0 ms) 27: [ RUN ] SimdScalarTest.cvttR2I 27: [ OK ] SimdScalarTest.cvttR2I (0 ms) 27: [ RUN ] SimdScalarTest.cvtI2R 27: [ OK ] SimdScalarTest.cvtI2R (0 ms) 27: [ RUN ] SimdScalarTest.cvtF2D 27: [ OK ] SimdScalarTest.cvtF2D (0 ms) 27: [ RUN ] SimdScalarTest.cvtD2D 27: [ OK ] SimdScalarTest.cvtD2D (0 ms) 27: [ RUN ] SimdScalarTest.loadI 27: [ OK ] SimdScalarTest.loadI (0 ms) 27: [ RUN ] SimdScalarTest.loadUI 27: [ OK ] SimdScalarTest.loadUI (0 ms) 27: [ RUN ] SimdScalarTest.storeI 27: [ OK ] SimdScalarTest.storeI (0 ms) 27: [ RUN ] SimdScalarTest.storeUI 27: [ OK ] SimdScalarTest.storeUI (0 ms) 27: [ RUN ] SimdScalarTest.andNotI 27: [ OK ] SimdScalarTest.andNotI (0 ms) 27: [ RUN ] SimdScalarTest.testBitsI 27: [ OK ] SimdScalarTest.testBitsI (0 ms) 27: [ RUN ] SimdScalarTest.selectByMaskI 27: [ OK ] SimdScalarTest.selectByMaskI (0 ms) 27: [ RUN ] SimdScalarTest.selectByNotMaskI 27: [ OK ] SimdScalarTest.selectByNotMaskI (0 ms) 27: [ RUN ] SimdScalarTest.blendI 27: [ OK ] SimdScalarTest.blendI (0 ms) 27: [ RUN ] SimdScalarTest.cvtB2IB 27: [ OK ] SimdScalarTest.cvtB2IB (0 ms) 27: [ RUN ] SimdScalarTest.cvtIB2B 27: [ OK ] SimdScalarTest.cvtIB2B (0 ms) 27: [ RUN ] SimdScalarTest.expandScalarsToTriplets 27: [ OK ] SimdScalarTest.expandScalarsToTriplets (0 ms) 27: [----------] 41 tests from SimdScalarTest (1 ms total) 27: 27: [----------] 8 tests from SimdScalarUtilTest 27: [ RUN ] SimdScalarUtilTest.gatherLoadTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.gatherLoadUTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadUTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.transposeScatterStoreU 27: [ OK ] SimdScalarUtilTest.transposeScatterStoreU (0 ms) 27: [ RUN ] SimdScalarUtilTest.transposeScatterIncrU 27: [ OK ] SimdScalarUtilTest.transposeScatterIncrU (0 ms) 27: [ RUN ] SimdScalarUtilTest.transposeScatterDecrU 27: [ OK ] SimdScalarUtilTest.transposeScatterDecrU (0 ms) 27: [ RUN ] SimdScalarUtilTest.gatherLoadBySimdIntTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadBySimdIntTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.gatherLoadUBySimdIntTranspose 27: [ OK ] SimdScalarUtilTest.gatherLoadUBySimdIntTranspose (0 ms) 27: [ RUN ] SimdScalarUtilTest.reduceIncr4ReturnSum 27: [ OK ] SimdScalarUtilTest.reduceIncr4ReturnSum (0 ms) 27: [----------] 8 tests from SimdScalarUtilTest (0 ms total) 27: 27: [----------] 37 tests from SimdScalarMathTest 27: [ RUN ] SimdScalarMathTest.copysign 27: [ OK ] SimdScalarMathTest.copysign (0 ms) 27: [ RUN ] SimdScalarMathTest.invsqrtPair 27: [ OK ] SimdScalarMathTest.invsqrtPair (0 ms) 27: [ RUN ] SimdScalarMathTest.inv 27: [ OK ] SimdScalarMathTest.inv (0 ms) 27: [ RUN ] SimdScalarMathTest.maskzInvsqrt 27: [ OK ] SimdScalarMathTest.maskzInvsqrt (0 ms) 27: [ RUN ] SimdScalarMathTest.log 27: [ OK ] SimdScalarMathTest.log (0 ms) 27: [ RUN ] SimdScalarMathTest.exp2 27: [ OK ] SimdScalarMathTest.exp2 (0 ms) 27: [ RUN ] SimdScalarMathTest.exp 27: [ OK ] SimdScalarMathTest.exp (0 ms) 27: [ RUN ] SimdScalarMathTest.erf 27: [ OK ] SimdScalarMathTest.erf (0 ms) 27: [ RUN ] SimdScalarMathTest.erfc 27: [ OK ] SimdScalarMathTest.erfc (0 ms) 27: [ RUN ] SimdScalarMathTest.sincos 27: [ OK ] SimdScalarMathTest.sincos (0 ms) 27: [ RUN ] SimdScalarMathTest.sin 27: [ OK ] SimdScalarMathTest.sin (0 ms) 27: [ RUN ] SimdScalarMathTest.cos 27: [ OK ] SimdScalarMathTest.cos (0 ms) 27: [ RUN ] SimdScalarMathTest.tan 27: [ OK ] SimdScalarMathTest.tan (0 ms) 27: [ RUN ] SimdScalarMathTest.asin 27: [ OK ] SimdScalarMathTest.asin (0 ms) 27: [ RUN ] SimdScalarMathTest.acos 27: [ OK ] SimdScalarMathTest.acos (0 ms) 27: [ RUN ] SimdScalarMathTest.atan 27: [ OK ] SimdScalarMathTest.atan (0 ms) 27: [ RUN ] SimdScalarMathTest.atan2 27: [ OK ] SimdScalarMathTest.atan2 (0 ms) 27: [ RUN ] SimdScalarMathTest.pmeForceCorrection 27: [ OK ] SimdScalarMathTest.pmeForceCorrection (0 ms) 27: [ RUN ] SimdScalarMathTest.pmePotentialCorrection 27: [ OK ] SimdScalarMathTest.pmePotentialCorrection (0 ms) 27: [ RUN ] SimdScalarMathTest.invsqrtPairSingleAccuracy 27: [ OK ] SimdScalarMathTest.invsqrtPairSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.invSingleAccuracy 27: [ OK ] SimdScalarMathTest.invSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.maskzInvsqrtSingleAccuracy 27: [ OK ] SimdScalarMathTest.maskzInvsqrtSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.logSingleAccuracy 27: [ OK ] SimdScalarMathTest.logSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.exp2SingleAccuracy 27: [ OK ] SimdScalarMathTest.exp2SingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.expSingleAccuracy 27: [ OK ] SimdScalarMathTest.expSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.erfSingleAccuracy 27: [ OK ] SimdScalarMathTest.erfSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.erfcSingleAccuracy 27: [ OK ] SimdScalarMathTest.erfcSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.sincosSingleAccuracy 27: [ OK ] SimdScalarMathTest.sincosSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.sinSingleAccuracy 27: [ OK ] SimdScalarMathTest.sinSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.cosSingleAccuracy 27: [ OK ] SimdScalarMathTest.cosSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.tanSingleAccuracy 27: [ OK ] SimdScalarMathTest.tanSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.asinSingleAccuracy 27: [ OK ] SimdScalarMathTest.asinSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.acosSingleAccuracy 27: [ OK ] SimdScalarMathTest.acosSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.atanSingleAccuracy 27: [ OK ] SimdScalarMathTest.atanSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.atan2SingleAccuracy 27: [ OK ] SimdScalarMathTest.atan2SingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.pmeForceCorrectionSingleAccuracy 27: [ OK ] SimdScalarMathTest.pmeForceCorrectionSingleAccuracy (0 ms) 27: [ RUN ] SimdScalarMathTest.pmePotentialCorrectionSingleAccuracy 27: [ OK ] SimdScalarMathTest.pmePotentialCorrectionSingleAccuracy (0 ms) 27: [----------] 37 tests from SimdScalarMathTest (0 ms total) 27: 27: [----------] Global test environment tear-down 27: [==========] 288 tests from 22 test cases ran. (91 ms total) 27: [ PASSED ] 288 tests. 27/30 Test #27: SimdUnitTests .................... Passed 0.69 sec test 28 Start 28: CompatibilityHelpersTests 28: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/compat-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/CompatibilityHelpersTests.xml" 28: Test timeout computed to be: 30 28: [==========] Running 170 tests from 12 test cases. 28: [----------] Global test environment set-up. 28: [----------] 45 tests from OptionalTest 28: [ RUN ] OptionalTest.UnionCanContainNonPodTypes 28: [ OK ] OptionalTest.UnionCanContainNonPodTypes (0 ms) 28: [ RUN ] OptionalTest.CanDefaultConstructEmpty 28: [ OK ] OptionalTest.CanDefaultConstructEmpty (0 ms) 28: [ RUN ] OptionalTest.CanConstructFromNullopt 28: [ OK ] OptionalTest.CanConstructFromNullopt (0 ms) 28: [ RUN ] OptionalTest.CanDefaultConstructUsingNonDefaultConstructibleType 28: [ OK ] OptionalTest.CanDefaultConstructUsingNonDefaultConstructibleType (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromEmptyOptional 28: [ OK ] OptionalTest.CanCopyConstructFromEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromEmptyOptional 28: [ OK ] OptionalTest.CanMoveConstructFromEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromEmptyOptionalWithExplicitConversion 28: [ OK ] OptionalTest.CanCopyConstructFromEmptyOptionalWithExplicitConversion (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanCopyConstructFromEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromEmptyOptionalExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromEmptyOptionalExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromNonEmptyOptional 28: [ OK ] OptionalTest.CanCopyConstructFromNonEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromNonEmptyOptionalExplicitConverting 28: [ OK ] OptionalTest.CanCopyConstructFromNonEmptyOptionalExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromNonEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanCopyConstructFromNonEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromNonEmptyOptional 28: [ OK ] OptionalTest.CanMoveConstructFromNonEmptyOptional (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromNonEmptyOptionalExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromNonEmptyOptionalExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromNonEmptyOptionalNonExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromNonEmptyOptionalNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromLiteral 28: [ OK ] OptionalTest.CanCopyConstructFromLiteral (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromLiteralConverting 28: [ OK ] OptionalTest.CanCopyConstructFromLiteralConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromValue 28: [ OK ] OptionalTest.CanCopyConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanCopyConstructFromValueConverting 28: [ OK ] OptionalTest.CanCopyConstructFromValueConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromValue 28: [ OK ] OptionalTest.CanMoveConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromValueExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromValueExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveConstructFromValueNonExplicitConverting 28: [ OK ] OptionalTest.CanMoveConstructFromValueNonExplicitConverting (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceConstructFromLiteral 28: [ OK ] OptionalTest.CanInPlaceConstructFromLiteral (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceCopyConstructFromValue 28: [ OK ] OptionalTest.CanInPlaceCopyConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceMoveConstructFromValue 28: [ OK ] OptionalTest.CanInPlaceMoveConstructFromValue (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceCopyConstructFromInitializerList 28: [ OK ] OptionalTest.CanInPlaceCopyConstructFromInitializerList (0 ms) 28: [ RUN ] OptionalTest.CanInPlaceMoveConstructFromInitializerList 28: [ OK ] OptionalTest.CanInPlaceMoveConstructFromInitializerList (0 ms) 28: [ RUN ] OptionalTest.CanAssignNulloptToDisengage 28: [ OK ] OptionalTest.CanAssignNulloptToDisengage (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionals 28: [ OK ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionals (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionalsConverting 28: [ OK ] OptionalTest.CanCopyAssignBetweenEngagedAndDisengagedOptionalsConverting (0 ms) 28: [ RUN ] OptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionalsConverting 28: [ OK ] OptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionalsConverting (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignFromLiteral 28: [ OK ] OptionalTest.CanCopyAssignFromLiteral (0 ms) 28: [ RUN ] OptionalTest.CanCopyAssignFromValue 28: [ OK ] OptionalTest.CanCopyAssignFromValue (0 ms) 28: [ RUN ] OptionalTest.CanMoveAssignFromValue 28: [ OK ] OptionalTest.CanMoveAssignFromValue (0 ms) 28: [ RUN ] OptionalTest.CanCopyEmplaceFromArguments 28: [ OK ] OptionalTest.CanCopyEmplaceFromArguments (0 ms) 28: [ RUN ] OptionalTest.CanMoveEmplaceFromArguments 28: [ OK ] OptionalTest.CanMoveEmplaceFromArguments (0 ms) 28: [ RUN ] OptionalTest.CanCopyEmplaceFromInitializerListAndArguments 28: [ OK ] OptionalTest.CanCopyEmplaceFromInitializerListAndArguments (0 ms) 28: [ RUN ] OptionalTest.CanMoveEmplaceFromInitializerListAndArguments 28: [ OK ] OptionalTest.CanMoveEmplaceFromInitializerListAndArguments (0 ms) 28: [ RUN ] OptionalTest.CanResetContent 28: [ OK ] OptionalTest.CanResetContent (0 ms) 28: [ RUN ] OptionalTest.ProvidesRelationalOperators 28: [ OK ] OptionalTest.ProvidesRelationalOperators (0 ms) 28: [ RUN ] OptionalTest.ProvidesMixedTypeRelationalOperators 28: [ OK ] OptionalTest.ProvidesMixedTypeRelationalOperators (1 ms) 28: [ RUN ] OptionalTest.CanProduceHash 28: [ OK ] OptionalTest.CanProduceHash (0 ms) 28: [ RUN ] OptionalTest.ShowAlignmentDependingOnBaseType 28: alignment_of: 1 28: alignment_of: 2 28: alignment_of: 4 28: alignment_of: 8 28: alignment_of: 4 28: alignment_of: 8 28: alignment_of: 16 28: alignment_of: 1 28: [ OK ] OptionalTest.ShowAlignmentDependingOnBaseType (0 ms) 28: [ RUN ] OptionalTest.ShowSizeDependingOnBaseType 28: sizeof( nonstd::optional_lite::detail::storage_t ): 1 28: sizeof( optional ): 2 (1) 28: sizeof( optional ): 4 (2) 28: sizeof( optional ): 8 (4) 28: sizeof( optional ): 16 (8) 28: sizeof( optional ): 8 (4) 28: sizeof( optional ): 16 (8) 28: sizeof( optional ): 32 (16) 28: sizeof( optional ): 2 (1) 28: [ OK ] OptionalTest.ShowSizeDependingOnBaseType (0 ms) 28: [----------] 45 tests from OptionalTest (1 ms total) 28: 28: [----------] 7 tests from MakeOptionalTest 28: [ RUN ] MakeOptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionals 28: [ OK ] MakeOptionalTest.CanMoveAssignBetweenEngagedAndDisengagedOptionals (0 ms) 28: [ RUN ] MakeOptionalTest.CanCopyConstruct 28: [ OK ] MakeOptionalTest.CanCopyConstruct (0 ms) 28: [ RUN ] MakeOptionalTest.CanMoveConstruct 28: [ OK ] MakeOptionalTest.CanMoveConstruct (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceCopyConstructFromArguments 28: [ OK ] MakeOptionalTest.CanInPlaceCopyConstructFromArguments (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceMoveConstructFromArguments 28: [ OK ] MakeOptionalTest.CanInPlaceMoveConstructFromArguments (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceCopyConstructFromInitializerListAndArguments 28: [ OK ] MakeOptionalTest.CanInPlaceCopyConstructFromInitializerListAndArguments (0 ms) 28: [ RUN ] MakeOptionalTest.CanInPlaceMoveConstructFromInitializerListAndArguments 28: [ OK ] MakeOptionalTest.CanInPlaceMoveConstructFromInitializerListAndArguments (0 ms) 28: [----------] 7 tests from MakeOptionalTest (0 ms total) 28: 28: [----------] 4 tests from OptionalMemberSwapTest 28: [ RUN ] OptionalMemberSwapTest.CanSwapDisengagedWithDisengaged 28: [ OK ] OptionalMemberSwapTest.CanSwapDisengagedWithDisengaged (0 ms) 28: [ RUN ] OptionalMemberSwapTest.CanSwapEngagedWithDisengaged 28: [ OK ] OptionalMemberSwapTest.CanSwapEngagedWithDisengaged (0 ms) 28: [ RUN ] OptionalMemberSwapTest.CanSwapDisengagedWithEngaged 28: [ OK ] OptionalMemberSwapTest.CanSwapDisengagedWithEngaged (0 ms) 28: [ RUN ] OptionalMemberSwapTest.CanSwapEngagedWithEngaged 28: [ OK ] OptionalMemberSwapTest.CanSwapEngagedWithEngaged (0 ms) 28: [----------] 4 tests from OptionalMemberSwapTest (0 ms total) 28: 28: [----------] 4 tests from OptionalImplicitValueTest 28: [ RUN ] OptionalImplicitValueTest.CanObtainValueConst 28: [ OK ] OptionalImplicitValueTest.CanObtainValueConst (0 ms) 28: [ RUN ] OptionalImplicitValueTest.CanObtainValueNonConst 28: [ OK ] OptionalImplicitValueTest.CanObtainValueNonConst (0 ms) 28: [ RUN ] OptionalImplicitValueTest.CanObtainMovedFromValueConst 28: [ OK ] OptionalImplicitValueTest.CanObtainMovedFromValueConst (0 ms) 28: [ RUN ] OptionalImplicitValueTest.CanObtainMovedFromValueNonConst 28: [ OK ] OptionalImplicitValueTest.CanObtainMovedFromValueNonConst (0 ms) 28: [----------] 4 tests from OptionalImplicitValueTest (0 ms total) 28: 28: [----------] 20 tests from OptionalIntValueTest 28: [ RUN ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorConst 28: [ OK ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorNonConst 28: [ OK ] OptionalIntValueTest.CanObtainValueFromDereferenceOperatorNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorNonConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueFromDereferenceOperatorNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainHasValueViaOperatorBool 28: [ OK ] OptionalIntValueTest.CanObtainHasValueViaOperatorBool (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueViaValueMethodConst 28: [ OK ] OptionalIntValueTest.CanObtainValueViaValueMethodConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueViaValueMethodNonConst 28: [ OK ] OptionalIntValueTest.CanObtainValueViaValueMethodNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodNonConst 28: [ OK ] OptionalIntValueTest.CanObtainMovedValueViaValueMethodNonConst (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainValueFromNonEmptyOptionalViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainValueFromNonEmptyOptionalViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainDefaultFromEmptyOptionalViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainDefaultFromEmptyOptionalViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedFromValueForLValuesViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainMovedFromValueForLValuesViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanObtainMovedFromValueForRValuesViaValueOrMethod 28: [ OK ] OptionalIntValueTest.CanObtainMovedFromValueForRValuesViaValueOrMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForLValues 28: [ OK ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForLValues (0 ms) 28: [ RUN ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForRValues 28: [ OK ] OptionalIntValueTest.ThrowsBadOptionalAccessAtDisengagedAccessForRValues (0 ms) 28: [ RUN ] OptionalIntValueTest.ThrowsBadOptionalAccessWithNonEmptyWhatMethod 28: [ OK ] OptionalIntValueTest.ThrowsBadOptionalAccessWithNonEmptyWhatMethod (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithDisengaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithDisengaged (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithEngaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithEngaged (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithEngaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapDisengagnedWithEngaged (0 ms) 28: [ RUN ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithDisengaged 28: [ OK ] OptionalIntValueTest.CanNonMemberSwapEngagnedWithDisengaged (0 ms) 28: [----------] 20 tests from OptionalIntValueTest (0 ms total) 28: 28: [----------] 1 test from NotNullConstruction 28: [ RUN ] NotNullConstruction.Works 28: [ OK ] NotNullConstruction.Works (0 ms) 28: [----------] 1 test from NotNullConstruction (0 ms total) 28: 28: [----------] 1 test from NotNullCasting 28: [ RUN ] NotNullCasting.Works 28: [ OK ] NotNullCasting.Works (0 ms) 28: [----------] 1 test from NotNullCasting (0 ms total) 28: 28: [----------] 1 test from NotNullAssignment 28: [ RUN ] NotNullAssignment.Works 28: [ OK ] NotNullAssignment.Works (0 ms) 28: [----------] 1 test from NotNullAssignment (0 ms total) 28: 28: [----------] 1 test from MakeNotNull 28: [ RUN ] MakeNotNull.Works 28: [ OK ] MakeNotNull.Works (0 ms) 28: [----------] 1 test from MakeNotNull (1 ms total) 28: 28: [----------] 1 test from NotNull 28: [ RUN ] NotNull.WorksInContainers 28: [ OK ] NotNull.WorksInContainers (0 ms) 28: [----------] 1 test from NotNull (0 ms total) 28: 28: [----------] 80 tests from StringViewTest 28: [ RUN ] StringViewTest.CanDefaultConstructEmptyView 28: [ OK ] StringViewTest.CanDefaultConstructEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanConstructFromPointerAndSize 28: [ OK ] StringViewTest.CanConstructFromPointerAndSize (0 ms) 28: [ RUN ] StringViewTest.CanConstructFromCString 28: [ OK ] StringViewTest.CanConstructFromCString (0 ms) 28: [ RUN ] StringViewTest.CanCopyConstructFromEmptyView 28: [ OK ] StringViewTest.CanCopyConstructFromEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanCopyConstructFromNonEmptyView 28: [ OK ] StringViewTest.CanCopyConstructFromNonEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanCopyAssingFromEmptyView 28: [ OK ] StringViewTest.CanCopyAssingFromEmptyView (0 ms) 28: [ RUN ] StringViewTest.CanCopyAssingFromNonEmptyView 28: [ OK ] StringViewTest.CanCopyAssingFromNonEmptyView (0 ms) 28: [ RUN ] StringViewTest.AllowForwardIteration 28: [ OK ] StringViewTest.AllowForwardIteration (0 ms) 28: [ RUN ] StringViewTest.AllowConstForwardIteration 28: [ OK ] StringViewTest.AllowConstForwardIteration (0 ms) 28: [ RUN ] StringViewTest.AllowReverseIteration 28: [ OK ] StringViewTest.AllowReverseIteration (0 ms) 28: [ RUN ] StringViewTest.AllowConstReverseIteration 28: [ OK ] StringViewTest.AllowConstReverseIteration (0 ms) 28: [ RUN ] StringViewTest.CanObtainSizeFromViewViaSize 28: [ OK ] StringViewTest.CanObtainSizeFromViewViaSize (0 ms) 28: [ RUN ] StringViewTest.CanObtainSizeFromViewViaLength 28: [ OK ] StringViewTest.CanObtainSizeFromViewViaLength (0 ms) 28: [ RUN ] StringViewTest.CanObtainMaxSizeViaMaxSize 28: [ OK ] StringViewTest.CanObtainMaxSizeViaMaxSize (0 ms) 28: [ RUN ] StringViewTest.CanCheckForEmptyStringWithEmpty 28: [ OK ] StringViewTest.CanCheckForEmptyStringWithEmpty (0 ms) 28: [ RUN ] StringViewTest.CanAccessElementViaArrayIndex 28: [ OK ] StringViewTest.CanAccessElementViaArrayIndex (0 ms) 28: [ RUN ] StringViewTest.CanAccessElementViaAt 28: [ OK ] StringViewTest.CanAccessElementViaAt (0 ms) 28: [ RUN ] StringViewTest.ThrowsOnOutOfBoundsAccess 28: [ OK ] StringViewTest.ThrowsOnOutOfBoundsAccess (0 ms) 28: [ RUN ] StringViewTest.CanAccessAllElementsViaData 28: [ OK ] StringViewTest.CanAccessAllElementsViaData (0 ms) 28: [ RUN ] StringViewTest.DataFromEmptyStringIsNullptr 28: [ OK ] StringViewTest.DataFromEmptyStringIsNullptr (0 ms) 28: [ RUN ] StringViewTest.CanRemovePrefix 28: [ OK ] StringViewTest.CanRemovePrefix (0 ms) 28: [ RUN ] StringViewTest.CanRemoveSuffix 28: [ OK ] StringViewTest.CanRemoveSuffix (0 ms) 28: [ RUN ] StringViewTest.CanSwapWithOtherView 28: [ OK ] StringViewTest.CanSwapWithOtherView (0 ms) 28: [ RUN ] StringViewTest.CanCopySubstringWithCopy 28: [ OK ] StringViewTest.CanCopySubstringWithCopy (0 ms) 28: [ RUN ] StringViewTest.ThrowsOnOutOfBoundsCopy 28: [ OK ] StringViewTest.ThrowsOnOutOfBoundsCopy (0 ms) 28: [ RUN ] StringViewTest.CanObtainSubstringWithSubstr 28: [ OK ] StringViewTest.CanObtainSubstringWithSubstr (0 ms) 28: [ RUN ] StringViewTest.ThrowsOnOutOfBoundsSubstr 28: [ OK ] StringViewTest.ThrowsOnOutOfBoundsSubstr (0 ms) 28: [ RUN ] StringViewTest.CanLexicallyCompareViewWithCompare 28: [ OK ] StringViewTest.CanLexicallyCompareViewWithCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareEmptyViewsWIthCompare 28: [ OK ] StringViewTest.CanCompareEmptyViewsWIthCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringWithViewViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringWithViewViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringWithSubStringViewViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringWithSubStringViewViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareToCStringViaCompare 28: [ OK ] StringViewTest.CanCompareToCStringViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringToCStringViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringToCStringViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCompareSubStringToCStringPrefixViaCompare 28: [ OK ] StringViewTest.CanCompareSubStringToCStringPrefixViaCompare (0 ms) 28: [ RUN ] StringViewTest.CanCheckForPrefixViewViaStartsWith 28: [ OK ] StringViewTest.CanCheckForPrefixViewViaStartsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForPrefixCharacterViaStartsWith 28: [ OK ] StringViewTest.CanCheckForPrefixCharacterViaStartsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForPrefixCStringViaStartsWith 28: [ OK ] StringViewTest.CanCheckForPrefixCStringViaStartsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForSuffixViewViaEndsWith 28: [ OK ] StringViewTest.CanCheckForSuffixViewViaEndsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForSuffixCharacterViaEndsWith 28: [ OK ] StringViewTest.CanCheckForSuffixCharacterViaEndsWith (0 ms) 28: [ RUN ] StringViewTest.CanCheckForSuffixCStringViaEndsWith 28: [ OK ] StringViewTest.CanCheckForSuffixCStringViaEndsWith (0 ms) 28: [ RUN ] StringViewTest.CanSearchForViewSubstrViaFind 28: [ OK ] StringViewTest.CanSearchForViewSubstrViaFind (0 ms) 28: [ RUN ] StringViewTest.CanSearchForCharacterViaFind 28: [ OK ] StringViewTest.CanSearchForCharacterViaFind (0 ms) 28: [ RUN ] StringViewTest.CanSearchForCStringSubstringViaFind 28: [ OK ] StringViewTest.CanSearchForCStringSubstringViaFind (0 ms) 28: [ RUN ] StringViewTest.CanSearchForCStringSubstringViaFindWithDefaultPos 28: [ OK ] StringViewTest.CanSearchForCStringSubstringViaFindWithDefaultPos (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForViewSubstrViaFind 28: [ OK ] StringViewTest.CanBackwardsSearchForViewSubstrViaFind (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForCharacterViaFind 28: [ OK ] StringViewTest.CanBackwardsSearchForCharacterViaFind (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFind 28: [ OK ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFind (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFindWithDefaultPos 28: [ OK ] StringViewTest.CanBackwardsSearchForCStringSubstringViaFindWithDefaultPos (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfAnyCharacterInView 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfAnyCharacterInView (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfCharacter 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfCharacter (1 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCStringInLenght 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCStringInLenght (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCString 28: [ OK ] StringViewTest.CanSearchForFirstOccurenceOfCharactersInCString (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfAnyCharacterInView 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfAnyCharacterInView (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharacter 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharacter (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCStringInLenght 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCStringInLenght (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCString 28: [ OK ] StringViewTest.CanBackwardsSearchForLastOccurenceOfCharactersInCString (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNotFoundCharacter 28: [ OK ] StringViewTest.CanSearchForFirstNotFoundCharacter (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNonMatchingCharacter 28: [ OK ] StringViewTest.CanSearchForFirstNonMatchingCharacter (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCStringInLength 28: [ OK ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCStringInLength (0 ms) 28: [ RUN ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCString 28: [ OK ] StringViewTest.CanSearchForFirstNonEqualToAnyCharacterInCString (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForForstNonFoundCharacterInView 28: [ OK ] StringViewTest.CanBackwardsSearchForForstNonFoundCharacterInView (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForFirstNonMatchingCharacter 28: [ OK ] StringViewTest.CanBackwardsSearchForFirstNonMatchingCharacter (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCStringInLength 28: [ OK ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCStringInLength (0 ms) 28: [ RUN ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCString 28: [ OK ] StringViewTest.CanBackwardsSearchForFirstNonEqualToAnyCharacterInCString (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSV 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSV (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSVInStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSVInStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteralSVInLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SV 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SV (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SVInStringViewLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SVInStringViewLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsNamespace 28: [ OK ] StringViewTest.CanCreateViewWithLiteral_SVInLiteralsNamespace (0 ms) 28: [ RUN ] StringViewTest.CanCompareToViews 28: [ OK ] StringViewTest.CanCompareToViews (0 ms) 28: [ RUN ] StringViewTest.CanCompareViewToImplicitlyConvertedView 28: [ OK ] StringViewTest.CanCompareViewToImplicitlyConvertedView (0 ms) 28: [ RUN ] StringViewTest.EmptyViewsCompareAsEqual 28: [ OK ] StringViewTest.EmptyViewsCompareAsEqual (0 ms) 28: [ RUN ] StringViewTest.CanPrintViewToPutputStream 28: [ OK ] StringViewTest.CanPrintViewToPutputStream (0 ms) 28: [ RUN ] StringViewTest.HashOfViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfViewIsEqualToHashOfString (0 ms) 28: [ RUN ] StringViewTest.HashOfWStringViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfWStringViewIsEqualToHashOfString (0 ms) 28: [ RUN ] StringViewTest.HashOfU16StringViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfU16StringViewIsEqualToHashOfString (0 ms) 28: [ RUN ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString 28: [ OK ] StringViewTest.HashOfU32StringViewIsEqualToHashOfString (0 ms) 28: [----------] 80 tests from StringViewTest (1 ms total) 28: 28: [----------] 5 tests from StringViewExtensionTest 28: [ RUN ] StringViewExtensionTest.CanConstructViewFromString 28: [ OK ] StringViewExtensionTest.CanConstructViewFromString (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViaExplicitOperator 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViaExplicitOperator (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViaToString 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViaToString (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViaToStringFreeFunction 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViaToStringFreeFunction (0 ms) 28: [ RUN ] StringViewExtensionTest.CanConvertViewToStringViewViaToStringView 28: [ OK ] StringViewExtensionTest.CanConvertViewToStringViewViaToStringView (0 ms) 28: [----------] 5 tests from StringViewExtensionTest (0 ms total) 28: 28: [----------] Global test environment tear-down 28: [==========] 170 tests from 12 test cases ran. (3 ms total) 28: [ PASSED ] 170 tests. 28/30 Test #28: CompatibilityHelpersTests ........ Passed 0.82 sec test 29 Start 29: FileIOTests 29: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/fileio-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/FileIOTests.xml" 29: Test timeout computed to be: 30 29: [==========] Running 33 tests from 8 test cases. 29: [----------] Global test environment set-up. 29: [----------] 2 tests from FileMD5Test 29: [ RUN ] FileMD5Test.CanComputeMD5 29: [ OK ] FileMD5Test.CanComputeMD5 (89 ms) 29: [ RUN ] FileMD5Test.ReturnsErrorIfFileModeIsWrong 29: [ OK ] FileMD5Test.ReturnsErrorIfFileModeIsWrong (0 ms) 29: [----------] 2 tests from FileMD5Test (90 ms total) 29: 29: [----------] 3 tests from MrcSerializer 29: [ RUN ] MrcSerializer.DefaultHeaderValuesAreSet 29: [ OK ] MrcSerializer.DefaultHeaderValuesAreSet (0 ms) 29: [ RUN ] MrcSerializer.DefaultHeaderHasRightSerialSize 29: [ OK ] MrcSerializer.DefaultHeaderHasRightSerialSize (0 ms) 29: [ RUN ] MrcSerializer.DefaultHeaderIdenticalAfterRoundTrip 29: [ OK ] MrcSerializer.DefaultHeaderIdenticalAfterRoundTrip (2 ms) 29: [----------] 3 tests from MrcSerializer (2 ms total) 29: 29: [----------] 4 tests from MrcDensityMap 29: [ RUN ] MrcDensityMap.RoundTripIsIdempotent 29: [ OK ] MrcDensityMap.RoundTripIsIdempotent (2 ms) 29: [ RUN ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent 29: [ OK ] MrcDensityMap.ThrowsFileIOErrorWhenFileNotPresent (1 ms) 29: [ RUN ] MrcDensityMap.ReadsCoordinateTransformationFromFile 29: [ OK ] MrcDensityMap.ReadsCoordinateTransformationFromFile (0 ms) 29: [ RUN ] MrcDensityMap.ReadsDensityDataFromFile 29: [ OK ] MrcDensityMap.ReadsDensityDataFromFile (3 ms) 29: [----------] 4 tests from MrcDensityMap (7 ms total) 29: 29: [----------] 8 tests from MrcDensityMapHeaderTest 29: [ RUN ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader 29: [ OK ] MrcDensityMapHeaderTest.DataSizeIsZeroForDefaultHeader (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.DataSizeIsCorrect 29: [ OK ] MrcDensityMapHeaderTest.DataSizeIsCorrect (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.DataSizeThrowsWhenInvalid 29: [ OK ] MrcDensityMapHeaderTest.DataSizeThrowsWhenInvalid (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformNoOriginGiven 29: [ OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformNoOriginGiven (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithOriginDefined 29: [ OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithOriginDefined (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithStartValues 29: [ OK ] MrcDensityMapHeaderTest.GetsCorrectCoordinateTransformWithStartValues (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.GetsCorrectExtents 29: [ OK ] MrcDensityMapHeaderTest.GetsCorrectExtents (0 ms) 29: [ RUN ] MrcDensityMapHeaderTest.IsSane 29: [ OK ] MrcDensityMapHeaderTest.IsSane (0 ms) 29: [----------] 8 tests from MrcDensityMapHeaderTest (0 ms total) 29: 29: [----------] 9 tests from ReadTest 29: [ RUN ] ReadTest.get_eint_ReadsInteger 29: [ OK ] ReadTest.get_eint_ReadsInteger (0 ms) 29: [ RUN ] ReadTest.get_eint_WarnsAboutFloat 29: 29: ERROR 1 [file unknown, line 0]: 29: Right hand side '0.8' for parameter 'test' in parameter file is not an 29: integer value 29: 29: 29: [ OK ] ReadTest.get_eint_WarnsAboutFloat (0 ms) 29: [ RUN ] ReadTest.get_eint_WarnsAboutString 29: 29: ERROR 1 [file unknown, line 0]: 29: Right hand side 'hello' for parameter 'test' in parameter file is not an 29: integer value 29: 29: 29: [ OK ] ReadTest.get_eint_WarnsAboutString (0 ms) 29: [ RUN ] ReadTest.get_eint64_ReadsInteger 29: [ OK ] ReadTest.get_eint64_ReadsInteger (0 ms) 29: [ RUN ] ReadTest.get_eint64_WarnsAboutFloat 29: 29: ERROR 1 [file unknown, line 0]: 29: Right hand side '0.8' for parameter 'test' in parameter file is not an 29: integer value 29: 29: 29: [ OK ] ReadTest.get_eint64_WarnsAboutFloat (0 ms) 29: [ RUN ] ReadTest.get_eint64_WarnsAboutString 29: 29: ERROR 1 [file unknown, line 0]: 29: Right hand side 'hello' for parameter 'test' in parameter file is not an 29: integer value 29: 29: 29: [ OK ] ReadTest.get_eint64_WarnsAboutString (0 ms) 29: [ RUN ] ReadTest.get_ereal_ReadsInteger 29: [ OK ] ReadTest.get_ereal_ReadsInteger (0 ms) 29: [ RUN ] ReadTest.get_ereal_ReadsFloat 29: [ OK ] ReadTest.get_ereal_ReadsFloat (0 ms) 29: [ RUN ] ReadTest.get_ereal_WarnsAboutString 29: 29: ERROR 1 [file unknown, line 0]: 29: Right hand side 'hello' for parameter 'test' in parameter file is not a 29: real value 29: 29: 29: [ OK ] ReadTest.get_ereal_WarnsAboutString (0 ms) 29: [----------] 9 tests from ReadTest (0 ms total) 29: 29: [----------] 1 test from FileIOXdrSerializerTest 29: [ RUN ] FileIOXdrSerializerTest.SizeIsCorrect 29: [ OK ] FileIOXdrSerializerTest.SizeIsCorrect (1 ms) 29: [----------] 1 test from FileIOXdrSerializerTest (1 ms total) 29: 29: [----------] 2 tests from TngTest 29: [ RUN ] TngTest.CanOpenTngFile 29: TNG library: Cannot open file spc2-traj.tng. ./src/external/tng_io/src/lib/tng_io.c: 890 29: TNG library: Cannot open file spc2-traj.tng. ./src/external/tng_io/src/lib/tng_io.c: 890 29: [ OK ] TngTest.CanOpenTngFile (1 ms) 29: [ RUN ] TngTest.CloseBeforeOpenIsNotFatal 29: [ OK ] TngTest.CloseBeforeOpenIsNotFatal (0 ms) 29: [----------] 2 tests from TngTest (1 ms total) 29: 29: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest 29: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0 29: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/0 (1 ms) 29: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 29: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/1 (2 ms) 29: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 29: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/2 (3 ms) 29: [ RUN ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 29: [ OK ] WithDifferentFormats/StructureIORoundtripTest.ReadWriteTpsConf/3 (1 ms) 29: [----------] 4 tests from WithDifferentFormats/StructureIORoundtripTest (7 ms total) 29: 29: [----------] Global test environment tear-down 29: [==========] 33 tests from 8 test cases ran. (108 ms total) 29: [ PASSED ] 33 tests. 29/30 Test #29: FileIOTests ...................... Passed 0.86 sec test 30 Start 30: SelectionUnitTests 30: Test command: /build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/bin/selection-test "--gtest_output=xml:/build/gromacs-lj8Hdg/gromacs-2020.6/build/openmpi/Testing/Temporary/SelectionUnitTests.xml" 30: Test timeout computed to be: 30 30: [==========] Running 192 tests from 11 test cases. 30: [----------] Global test environment set-up. 30: [----------] 1 test from IndexGroupTest 30: [ RUN ] IndexGroupTest.RemovesDuplicates 30: [ OK ] IndexGroupTest.RemovesDuplicates (0 ms) 30: [----------] 1 test from IndexGroupTest (0 ms total) 30: 30: [----------] 15 tests from IndexBlockTest 30: [ RUN ] IndexBlockTest.CreatesUnknownBlock 30: [ OK ] IndexBlockTest.CreatesUnknownBlock (0 ms) 30: [ RUN ] IndexBlockTest.CreatesAtomBlock 30: [ OK ] IndexBlockTest.CreatesAtomBlock (0 ms) 30: [ RUN ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology 30: [ OK ] IndexBlockTest.CreatesResidueBlocksForSimpleTopology (1 ms) 30: [ RUN ] IndexBlockTest.CreatesResidueBlocksForComplexTopology 30: [ OK ] IndexBlockTest.CreatesResidueBlocksForComplexTopology (0 ms) 30: [ RUN ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology 30: [ OK ] IndexBlockTest.CreatesMoleculeBlocksForSimpleTopology (0 ms) 30: [ RUN ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology 30: [ OK ] IndexBlockTest.CreatesMoleculeBlocksForComplexTopology (2 ms) 30: [ RUN ] IndexBlockTest.CreatesSingleBlock 30: [ OK ] IndexBlockTest.CreatesSingleBlock (0 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForFullBlocksPositive 30: [ OK ] IndexBlockTest.ChecksGroupForFullBlocksPositive (0 ms) 30: [ RUN ] IndexBlockTest.ChecksOutOfOrderGroupForFullBlocksPositive 30: [ OK ] IndexBlockTest.ChecksOutOfOrderGroupForFullBlocksPositive (0 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForFullBlocksNegative 30: [ OK ] IndexBlockTest.ChecksGroupForFullBlocksNegative (0 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForCompleteElementsTrivial 30: [ OK ] IndexBlockTest.ChecksGroupForCompleteElementsTrivial (0 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForCompleteResiduesPositive 30: [ OK ] IndexBlockTest.ChecksGroupForCompleteResiduesPositive (0 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForCompleteResiduesNegative 30: [ OK ] IndexBlockTest.ChecksGroupForCompleteResiduesNegative (0 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForCompleteMoleculesPositive 30: [ OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesPositive (0 ms) 30: [ RUN ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative 30: [ OK ] IndexBlockTest.ChecksGroupForCompleteMoleculesNegative (0 ms) 30: [----------] 15 tests from IndexBlockTest (4 ms total) 30: 30: [----------] 11 tests from IndexMapTest 30: [ RUN ] IndexMapTest.InitializesAtomBlock 30: [ OK ] IndexMapTest.InitializesAtomBlock (0 ms) 30: [ RUN ] IndexMapTest.InitializesOrgIdGroupAtom 30: [ OK ] IndexMapTest.InitializesOrgIdGroupAtom (0 ms) 30: [ RUN ] IndexMapTest.InitializesOrgIdGroupSingle 30: [ OK ] IndexMapTest.InitializesOrgIdGroupSingle (0 ms) 30: [ RUN ] IndexMapTest.InitializesOrgIdGroupResidue 30: [ OK ] IndexMapTest.InitializesOrgIdGroupResidue (0 ms) 30: [ RUN ] IndexMapTest.InitializesOrgIdGroupMolecule 30: [ OK ] IndexMapTest.InitializesOrgIdGroupMolecule (0 ms) 30: [ RUN ] IndexMapTest.InitializesOrgIdGroupAll 30: [ OK ] IndexMapTest.InitializesOrgIdGroupAll (0 ms) 30: [ RUN ] IndexMapTest.InitializesMoleculeBlock 30: [ OK ] IndexMapTest.InitializesMoleculeBlock (0 ms) 30: [ RUN ] IndexMapTest.MapsSingleBlock 30: [ OK ] IndexMapTest.MapsSingleBlock (0 ms) 30: [ RUN ] IndexMapTest.MapsResidueBlocks 30: [ OK ] IndexMapTest.MapsResidueBlocks (1 ms) 30: [ RUN ] IndexMapTest.MapsResidueBlocksWithMask 30: [ OK ] IndexMapTest.MapsResidueBlocksWithMask (0 ms) 30: [ RUN ] IndexMapTest.HandlesMultipleRequests 30: [ OK ] IndexMapTest.HandlesMultipleRequests (1 ms) 30: [----------] 11 tests from IndexMapTest (3 ms total) 30: 30: [----------] 3 tests from IndexGroupsAndNamesTest 30: [ RUN ] IndexGroupsAndNamesTest.containsNames 30: [ OK ] IndexGroupsAndNamesTest.containsNames (0 ms) 30: [ RUN ] IndexGroupsAndNamesTest.throwsWhenNameMissing 30: [ OK ] IndexGroupsAndNamesTest.throwsWhenNameMissing (0 ms) 30: [ RUN ] IndexGroupsAndNamesTest.groupIndicesCorrect 30: [ OK ] IndexGroupsAndNamesTest.groupIndicesCorrect (1 ms) 30: [----------] 3 tests from IndexGroupsAndNamesTest (1 ms total) 30: 30: [----------] 15 tests from NeighborhoodSearchTest 30: [ RUN ] NeighborhoodSearchTest.SimpleSearch 30: [ OK ] NeighborhoodSearchTest.SimpleSearch (22 ms) 30: [ RUN ] NeighborhoodSearchTest.SimpleSearchXY 30: [ OK ] NeighborhoodSearchTest.SimpleSearchXY (29 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSearchBox 30: [ OK ] NeighborhoodSearchTest.GridSearchBox (5 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSearchTriclinic 30: [ OK ] NeighborhoodSearchTest.GridSearchTriclinic (20 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSearch2DPBC 30: [ OK ] NeighborhoodSearchTest.GridSearch2DPBC (7 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSearchNoPBC 30: [ OK ] NeighborhoodSearchTest.GridSearchNoPBC (2 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSearchXYBox 30: [ OK ] NeighborhoodSearchTest.GridSearchXYBox (4 ms) 30: [ RUN ] NeighborhoodSearchTest.SimpleSelfPairsSearch 30: [ OK ] NeighborhoodSearchTest.SimpleSelfPairsSearch (0 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSelfPairsSearch 30: [ OK ] NeighborhoodSearchTest.GridSelfPairsSearch (70 ms) 30: [ RUN ] NeighborhoodSearchTest.HandlesConcurrentSearches 30: [ OK ] NeighborhoodSearchTest.HandlesConcurrentSearches (0 ms) 30: [ RUN ] NeighborhoodSearchTest.HandlesNoPBC 30: [ OK ] NeighborhoodSearchTest.HandlesNoPBC (0 ms) 30: [ RUN ] NeighborhoodSearchTest.HandlesNullPBC 30: [ OK ] NeighborhoodSearchTest.HandlesNullPBC (0 ms) 30: [ RUN ] NeighborhoodSearchTest.HandlesSkippingPairs 30: [ OK ] NeighborhoodSearchTest.HandlesSkippingPairs (0 ms) 30: [ RUN ] NeighborhoodSearchTest.SimpleSearchExclusions 30: [ OK ] NeighborhoodSearchTest.SimpleSearchExclusions (4 ms) 30: [ RUN ] NeighborhoodSearchTest.GridSearchExclusions 30: [ OK ] NeighborhoodSearchTest.GridSearchExclusions (1 ms) 30: [----------] 15 tests from NeighborhoodSearchTest (164 ms total) 30: 30: [----------] 12 tests from PositionCalculationTest 30: [ RUN ] PositionCalculationTest.ComputesAtomPositions 30: [ OK ] PositionCalculationTest.ComputesAtomPositions (0 ms) 30: [ RUN ] PositionCalculationTest.ComputesResidueCOGPositions 30: [ OK ] PositionCalculationTest.ComputesResidueCOGPositions (1 ms) 30: [ RUN ] PositionCalculationTest.ComputesResidueCOMPositions 30: [ OK ] PositionCalculationTest.ComputesResidueCOMPositions (0 ms) 30: [ RUN ] PositionCalculationTest.ComputesGroupCOGPositions 30: [ OK ] PositionCalculationTest.ComputesGroupCOGPositions (0 ms) 30: [ RUN ] PositionCalculationTest.ComputesGroupCOMPositions 30: [ OK ] PositionCalculationTest.ComputesGroupCOMPositions (0 ms) 30: [ RUN ] PositionCalculationTest.ComputesPositionsWithCompleteWhole 30: [ OK ] PositionCalculationTest.ComputesPositionsWithCompleteWhole (1 ms) 30: [ RUN ] PositionCalculationTest.ComputesPositionsWithCompleteMax 30: [ OK ] PositionCalculationTest.ComputesPositionsWithCompleteMax (0 ms) 30: [ RUN ] PositionCalculationTest.ComputesPositionMask 30: [ OK ] PositionCalculationTest.ComputesPositionMask (0 ms) 30: [ RUN ] PositionCalculationTest.HandlesFramesWithLessAtoms 30: [ OK ] PositionCalculationTest.HandlesFramesWithLessAtoms (0 ms) 30: [ RUN ] PositionCalculationTest.HandlesFramesWithLessAtoms2 30: [ OK ] PositionCalculationTest.HandlesFramesWithLessAtoms2 (1 ms) 30: [ RUN ] PositionCalculationTest.HandlesIdenticalStaticCalculations 30: [ OK ] PositionCalculationTest.HandlesIdenticalStaticCalculations (0 ms) 30: [ RUN ] PositionCalculationTest.HandlesOverlappingStaticCalculations 30: [ OK ] PositionCalculationTest.HandlesOverlappingStaticCalculations (0 ms) 30: [----------] 12 tests from PositionCalculationTest (3 ms total) 30: 30: [----------] 29 tests from SelectionCollectionTest 30: [ RUN ] SelectionCollectionTest.HandlesNoSelections 30: [ OK ] SelectionCollectionTest.HandlesNoSelections (1 ms) 30: [ RUN ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType 30: [ OK ] SelectionCollectionTest.HandlesNoSelectionsWithDefaultPositionType (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesVelocityAndForceRequests 30: [ OK ] SelectionCollectionTest.HandlesVelocityAndForceRequests (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry 30: [ OK ] SelectionCollectionTest.HandlesForceRequestForCenterOfGeometry (1 ms) 30: [ RUN ] SelectionCollectionTest.ParsesSelectionsFromFile 30: [ OK ] SelectionCollectionTest.ParsesSelectionsFromFile (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesAtypicalWhitespace 30: [ OK ] SelectionCollectionTest.HandlesAtypicalWhitespace (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesInvalidRegularExpressions 30: [ OK ] SelectionCollectionTest.HandlesInvalidRegularExpressions (1 ms) 30: [ RUN ] SelectionCollectionTest.HandlesMissingMethodParamValue 30: [ OK ] SelectionCollectionTest.HandlesMissingMethodParamValue (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesMissingMethodParamValue2 30: [ OK ] SelectionCollectionTest.HandlesMissingMethodParamValue2 (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesMissingMethodParamValue3 30: [ OK ] SelectionCollectionTest.HandlesMissingMethodParamValue3 (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1 30: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser1 (1 ms) 30: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 30: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceParser2 (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 30: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed1 (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2 30: [ OK ] SelectionCollectionTest.HandlesUnknownGroupReferenceDelayed2 (1 ms) 30: [ RUN ] SelectionCollectionTest.HandlesUnsortedGroupReference 30: [ OK ] SelectionCollectionTest.HandlesUnsortedGroupReference (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesUnsortedGroupReferenceDelayed 30: [ OK ] SelectionCollectionTest.HandlesUnsortedGroupReferenceDelayed (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup 30: [ OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroup (1 ms) 30: [ RUN ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed 30: [ OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2 30: [ OK ] SelectionCollectionTest.HandlesOutOfRangeAtomIndexInGroupDelayed2 (1 ms) 30: [ RUN ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo 30: [ OK ] SelectionCollectionTest.RecoversFromMissingMoleculeInfo (0 ms) 30: [ RUN ] SelectionCollectionTest.RecoversFromMissingAtomTypes 30: [ OK ] SelectionCollectionTest.RecoversFromMissingAtomTypes (1 ms) 30: [ RUN ] SelectionCollectionTest.RecoversFromMissingPDBInfo 30: [ OK ] SelectionCollectionTest.RecoversFromMissingPDBInfo (0 ms) 30: [ RUN ] SelectionCollectionTest.RecoversFromInvalidPermutation 30: [ OK ] SelectionCollectionTest.RecoversFromInvalidPermutation (0 ms) 30: [ RUN ] SelectionCollectionTest.RecoversFromInvalidPermutation2 30: [ OK ] SelectionCollectionTest.RecoversFromInvalidPermutation2 (1 ms) 30: [ RUN ] SelectionCollectionTest.RecoversFromInvalidPermutation3 30: [ OK ] SelectionCollectionTest.RecoversFromInvalidPermutation3 (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets 30: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets (1 ms) 30: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets2 30: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets2 (1 ms) 30: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3 30: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets3 (0 ms) 30: [ RUN ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4 30: [ OK ] SelectionCollectionTest.HandlesFramesWithTooSmallAtomSubsets4 (1 ms) 30: [----------] 29 tests from SelectionCollectionTest (12 ms total) 30: 30: [----------] 14 tests from SelectionCollectionInteractiveTest 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesBasicInput 30: [ OK ] SelectionCollectionInteractiveTest.HandlesBasicInput (0 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesContinuation 30: [ OK ] SelectionCollectionInteractiveTest.HandlesContinuation (1 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput 30: [ OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInput (0 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput 30: [ OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInput (1 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups 30: [ OK ] SelectionCollectionInteractiveTest.HandlesStatusWithGroups (1 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections 30: [ OK ] SelectionCollectionInteractiveTest.HandlesStatusWithExistingSelections (0 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus 30: [ OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputStatus (1 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus 30: [ OK ] SelectionCollectionInteractiveTest.HandlesTwoSelectionInputStatus (1 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus 30: [ OK ] SelectionCollectionInteractiveTest.HandlesMultiSelectionInputStatus (0 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline 30: [ OK ] SelectionCollectionInteractiveTest.HandlesNoFinalNewline (1 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesEmptySelections 30: [ OK ] SelectionCollectionInteractiveTest.HandlesEmptySelections (0 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine 30: [ OK ] SelectionCollectionInteractiveTest.HandlesMultipleSelectionsOnLine (1 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput 30: [ OK ] SelectionCollectionInteractiveTest.HandlesNoninteractiveInput (0 ms) 30: [ RUN ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively 30: [ OK ] SelectionCollectionInteractiveTest.HandlesSingleSelectionInputNoninteractively (1 ms) 30: [----------] 14 tests from SelectionCollectionInteractiveTest (8 ms total) 30: 30: [----------] 66 tests from SelectionCollectionDataTest 30: [ RUN ] SelectionCollectionDataTest.HandlesAllNone 30: [ OK ] SelectionCollectionDataTest.HandlesAllNone (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesAtomnr 30: [ OK ] SelectionCollectionDataTest.HandlesAtomnr (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesResnr 30: [ OK ] SelectionCollectionDataTest.HandlesResnr (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesResIndex 30: [ OK ] SelectionCollectionDataTest.HandlesResIndex (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesMolIndex 30: [ OK ] SelectionCollectionDataTest.HandlesMolIndex (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesAtomname 30: [ OK ] SelectionCollectionDataTest.HandlesAtomname (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPdbAtomname 30: [ OK ] SelectionCollectionDataTest.HandlesPdbAtomname (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesAtomtype 30: [ OK ] SelectionCollectionDataTest.HandlesAtomtype (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesChain 30: [ OK ] SelectionCollectionDataTest.HandlesChain (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesMass 30: [ OK ] SelectionCollectionDataTest.HandlesMass (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesCharge 30: [ OK ] SelectionCollectionDataTest.HandlesCharge (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesAltLoc 30: [ OK ] SelectionCollectionDataTest.HandlesAltLoc (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesInsertCode 30: [ OK ] SelectionCollectionDataTest.HandlesInsertCode (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesOccupancy 30: [ OK ] SelectionCollectionDataTest.HandlesOccupancy (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesBeta 30: [ OK ] SelectionCollectionDataTest.HandlesBeta (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesResname 30: [ OK ] SelectionCollectionDataTest.HandlesResname (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesCoordinateKeywords 30: [ OK ] SelectionCollectionDataTest.HandlesCoordinateKeywords (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesSameResidue 30: [ OK ] SelectionCollectionDataTest.HandlesSameResidue (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesSameResidueName 30: [ OK ] SelectionCollectionDataTest.HandlesSameResidueName (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPositionKeywords 30: [ OK ] SelectionCollectionDataTest.HandlesPositionKeywords (23 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesDistanceKeyword 30: [ OK ] SelectionCollectionDataTest.HandlesDistanceKeyword (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesMinDistanceKeyword 30: [ OK ] SelectionCollectionDataTest.HandlesMinDistanceKeyword (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesWithinKeyword 30: [ OK ] SelectionCollectionDataTest.HandlesWithinKeyword (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword 30: [ OK ] SelectionCollectionDataTest.HandlesInSolidAngleKeyword (8 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPermuteModifier 30: [ OK ] SelectionCollectionDataTest.HandlesPermuteModifier (2 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPlusModifier 30: [ OK ] SelectionCollectionDataTest.HandlesPlusModifier (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesMergeModifier 30: [ OK ] SelectionCollectionDataTest.HandlesMergeModifier (1 ms) 30: [ RUN ] SelectionCollectionDataTest.ComputesMassesAndCharges 30: [ OK ] SelectionCollectionDataTest.ComputesMassesAndCharges (2 ms) 30: [ RUN ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology 30: [ OK ] SelectionCollectionDataTest.ComputesMassesAndChargesWithoutTopology (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets 30: [ OK ] SelectionCollectionDataTest.HandlesFramesWithAtomSubsets (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesSelectionNames 30: [ OK ] SelectionCollectionDataTest.HandlesSelectionNames (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesIndexGroupsInSelections 30: [ OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelections (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed 30: [ OK ] SelectionCollectionDataTest.HandlesIndexGroupsInSelectionsDelayed (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections 30: [ OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelections (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed 30: [ OK ] SelectionCollectionDataTest.HandlesUnsortedIndexGroupsInSelectionsDelayed (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesConstantPositions 30: [ OK ] SelectionCollectionDataTest.HandlesConstantPositions (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers 30: [ OK ] SelectionCollectionDataTest.HandlesConstantPositionsWithModifiers (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesWithinConstantPositions 30: [ OK ] SelectionCollectionDataTest.HandlesWithinConstantPositions (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges 30: [ OK ] SelectionCollectionDataTest.HandlesOverlappingIntegerRanges (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesOverlappingRealRanges 30: [ OK ] SelectionCollectionDataTest.HandlesOverlappingRealRanges (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode 30: [ OK ] SelectionCollectionDataTest.HandlesForcedStringMatchingMode (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesWildcardMatching 30: [ OK ] SelectionCollectionDataTest.HandlesWildcardMatching (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesRegexMatching 30: [ OK ] SelectionCollectionDataTest.HandlesRegexMatching (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesBasicBoolean 30: [ OK ] SelectionCollectionDataTest.HandlesBasicBoolean (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters 30: [ OK ] SelectionCollectionDataTest.HandlesDynamicAtomValuedParameters (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions 30: [ OK ] SelectionCollectionDataTest.HandlesEmptySelectionWithUnevaluatedExpressions (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame 30: [ OK ] SelectionCollectionDataTest.HandlesEmptyReferenceForSame (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords 30: [ OK ] SelectionCollectionDataTest.HandlesPositionModifiersForKeywords (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods 30: [ OK ] SelectionCollectionDataTest.HandlesPositionModifiersForMethods (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesKeywordOfPositions 30: [ OK ] SelectionCollectionDataTest.HandlesKeywordOfPositions (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic 30: [ OK ] SelectionCollectionDataTest.HandlesKeywordOfPositionsInArithmetic (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesNumericComparisons 30: [ OK ] SelectionCollectionDataTest.HandlesNumericComparisons (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesArithmeticExpressions 30: [ OK ] SelectionCollectionDataTest.HandlesArithmeticExpressions (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesNumericVariables 30: [ OK ] SelectionCollectionDataTest.HandlesNumericVariables (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesComplexNumericVariables 30: [ OK ] SelectionCollectionDataTest.HandlesComplexNumericVariables (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPositionVariables 30: [ OK ] SelectionCollectionDataTest.HandlesPositionVariables (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesPositionVariableInModifier 30: [ OK ] SelectionCollectionDataTest.HandlesPositionVariableInModifier (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesConstantPositionInVariable 30: [ OK ] SelectionCollectionDataTest.HandlesConstantPositionInVariable (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables 30: [ OK ] SelectionCollectionDataTest.HandlesNumericConstantsInVariables (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis 30: [ OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysis (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables 30: [ OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithVariables (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables 30: [ OK ] SelectionCollectionDataTest.HandlesBooleanStaticAnalysisWithMoreVariables (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesUnusedVariables 30: [ OK ] SelectionCollectionDataTest.HandlesUnusedVariables (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups 30: [ OK ] SelectionCollectionDataTest.HandlesVariablesWithStaticEvaluationGroups (1 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups 30: [ OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups (0 ms) 30: [ RUN ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 30: [ OK ] SelectionCollectionDataTest.HandlesVariablesWithMixedEvaluationGroups2 (1 ms) 30: [----------] 66 tests from SelectionCollectionDataTest (80 ms total) 30: 30: [----------] 17 tests from SelectionOptionTest 30: [ RUN ] SelectionOptionTest.ParsesSimpleSelection 30: [ OK ] SelectionOptionTest.ParsesSimpleSelection (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired 30: [ OK ] SelectionOptionTest.HandlesDynamicSelectionWhenStaticRequired (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired 30: [ OK ] SelectionOptionTest.HandlesNonAtomicSelectionWhenAtomsRequired (0 ms) 30: [ RUN ] SelectionOptionTest.ChecksForSortedAtomsWhenRequired 30: [ OK ] SelectionOptionTest.ChecksForSortedAtomsWhenRequired (1 ms) 30: [ RUN ] SelectionOptionTest.ChecksEmptySelections 30: [ OK ] SelectionOptionTest.ChecksEmptySelections (0 ms) 30: [ RUN ] SelectionOptionTest.ChecksEmptyDelayedSelections 30: [ OK ] SelectionOptionTest.ChecksEmptyDelayedSelections (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesTooManySelections 30: [ OK ] SelectionOptionTest.HandlesTooManySelections (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesTooFewSelections 30: [ OK ] SelectionOptionTest.HandlesTooFewSelections (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesDefaultSelectionText 30: [ OK ] SelectionOptionTest.HandlesDefaultSelectionText (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesAdjuster 30: [ OK ] SelectionOptionTest.HandlesAdjuster (1 ms) 30: [ RUN ] SelectionOptionTest.HandlesDynamicWhenStaticRequiredWithAdjuster 30: [ OK ] SelectionOptionTest.HandlesDynamicWhenStaticRequiredWithAdjuster (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesTooManySelectionsWithAdjuster 30: [ OK ] SelectionOptionTest.HandlesTooManySelectionsWithAdjuster (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesTooFewSelectionsWithAdjuster 30: [ OK ] SelectionOptionTest.HandlesTooFewSelectionsWithAdjuster (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesDelayedRequiredSelection 30: [ OK ] SelectionOptionTest.HandlesDelayedRequiredSelection (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesTooFewDelayedRequiredSelections 30: [ OK ] SelectionOptionTest.HandlesTooFewDelayedRequiredSelections (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesDelayedOptionalSelection 30: [ OK ] SelectionOptionTest.HandlesDelayedOptionalSelection (0 ms) 30: [ RUN ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster 30: [ OK ] SelectionOptionTest.HandlesDelayedSelectionWithAdjuster (0 ms) 30: [----------] 17 tests from SelectionOptionTest (3 ms total) 30: 30: [----------] 9 tests from SelectionFileOptionTest 30: [ RUN ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile 30: [ OK ] SelectionFileOptionTest.HandlesSingleSelectionOptionFromFile (0 ms) 30: [ RUN ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions 30: [ OK ] SelectionFileOptionTest.HandlesTwoSeparateSelectionOptions (0 ms) 30: [ RUN ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile 30: [ OK ] SelectionFileOptionTest.HandlesTwoSelectionOptionsFromSingleFile (0 ms) 30: [ RUN ] SelectionFileOptionTest.HandlesRequiredOptionFromFile 30: [ OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFile (0 ms) 30: [ RUN ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet 30: [ OK ] SelectionFileOptionTest.HandlesRequiredOptionFromFileWithOtherOptionSet (1 ms) 30: [ RUN ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile 30: [ OK ] SelectionFileOptionTest.HandlesTwoRequiredOptionsFromSingleFile (0 ms) 30: [ RUN ] SelectionFileOptionTest.GivesErrorWithNoFile 30: [ OK ] SelectionFileOptionTest.GivesErrorWithNoFile (0 ms) 30: [ RUN ] SelectionFileOptionTest.GivesErrorWithNonExistentFile 30: [ OK ] SelectionFileOptionTest.GivesErrorWithNonExistentFile (0 ms) 30: [ RUN ] SelectionFileOptionTest.GivesErrorWithMultipleFiles 30: [ OK ] SelectionFileOptionTest.GivesErrorWithMultipleFiles (0 ms) 30: [----------] 9 tests from SelectionFileOptionTest (1 ms total) 30: 30: [----------] Global test environment tear-down 30: [==========] 192 tests from 11 test cases ran. (279 ms total) 30: [ PASSED ] 192 tests. 30/30 Test #30: SelectionUnitTests ............... Passed 1.02 sec 100% tests passed, 0 tests failed out of 30 Label Time Summary: GTest = 33.98 sec*proc (30 tests) MpiTest = 3.02 sec*proc (3 tests) UnitTest = 33.98 sec*proc (30 tests) Total Test time (real) = 35.32 sec touch build-openmpi dh_testdir # Build speedy, stripped-down version just for documentation generation. # Derived from admin/build-docs.sh (mkdir -p build/documentation ; cd build/documentation; LD_LIBRARY_PATH=/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/lib \ cmake /build/gromacs-lj8Hdg/gromacs-2020.6 -DCMAKE_BUILD_TYPE=Debug -DGMX_OPENMP=OFF -DGMX_SIMD=None \ -DGMX_GPU=OFF -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_RULE_MESSAGES=OFF -DGMX_BUILD_MANUAL=ON \ -DGMX_BUILD_HELP=ON -DGMX_VERSION_STRING_OF_FORK="Debian-2020.6-2") -- The C compiler identification is GNU 10.2.1 -- The CXX compiler identification is GNU 10.2.1 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/cc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Performing Test CFLAGS_PRAGMA -- Performing Test CFLAGS_PRAGMA - Success -- Performing Test CFLAGS_EXCESS_PREC -- Performing Test CFLAGS_EXCESS_PREC - Success -- Performing Test CFLAGS_COPT -- Performing Test CFLAGS_COPT - Success -- Performing Test CFLAGS_NOINLINE -- Performing Test CFLAGS_NOINLINE - Success -- Performing Test CXXFLAGS_PRAGMA -- Performing Test CXXFLAGS_PRAGMA - Success -- Performing Test CXXFLAGS_EXCESS_PREC -- Performing Test CXXFLAGS_EXCESS_PREC - Success -- Performing Test CXXFLAGS_COPT -- Performing Test CXXFLAGS_COPT - Success -- Performing Test CXXFLAGS_NOINLINE -- Performing Test CXXFLAGS_NOINLINE - Success -- Looking for include file unistd.h -- Looking for include file unistd.h - found -- Looking for include file pwd.h -- Looking for include file pwd.h - found -- Looking for include file dirent.h -- Looking for include file dirent.h - found -- Looking for include file time.h -- Looking for include file time.h - found -- Looking for include file sys/time.h -- Looking for include file sys/time.h - found -- Looking for include file io.h -- Looking for include file io.h - not found -- Looking for include file sched.h -- Looking for include file sched.h - found -- Looking for include file xmmintrin.h -- Looking for include file xmmintrin.h - found -- Looking for gettimeofday -- Looking for gettimeofday - found -- Looking for sysconf -- Looking for sysconf - found -- Looking for nice -- Looking for nice - found -- Looking for fsync -- Looking for fsync - found -- Looking for _fileno -- Looking for _fileno - not found -- Looking for fileno -- Looking for fileno - found -- Looking for _commit -- Looking for _commit - not found -- Looking for sigaction -- Looking for sigaction - found -- Performing Test HAVE_BUILTIN_CLZ -- Performing Test HAVE_BUILTIN_CLZ - Success -- Performing Test HAVE_BUILTIN_CLZLL -- Performing Test HAVE_BUILTIN_CLZLL - Success -- Looking for clock_gettime in rt -- Looking for clock_gettime in rt - found -- Looking for feenableexcept in m -- Looking for feenableexcept in m - found -- Looking for fedisableexcept in m -- Looking for fedisableexcept in m - found -- Checking for sched.h GNU affinity API -- Performing Test sched_affinity_compile -- Performing Test sched_affinity_compile - Success -- Looking for include file mm_malloc.h -- Looking for include file mm_malloc.h - found -- Looking for include file malloc.h -- Looking for include file malloc.h - found -- Checking for _mm_malloc() -- Checking for _mm_malloc() - supported -- Looking for posix_memalign -- Looking for posix_memalign - found -- Looking for memalign -- Looking for memalign - not found -- Check if the system is big endian -- Searching 16 bit integer -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for stdint.h -- Looking for stdint.h - found -- Looking for stddef.h -- Looking for stddef.h - found -- Check size of unsigned short -- Check size of unsigned short - done -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- Looking for HWLOC -- Looking for hwloc_topology_init -- Looking for hwloc_topology_init - found -- hwloc version: -- Found HWLOC: /usr/lib/x86_64-linux-gnu/libhwloc.so (found suitable version "2.4.1", minimum required is "1.5") -- Looking for pthread.h -- Looking for pthread.h - found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Failed -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - found -- Found Threads: TRUE -- Looking for C++ include pthread.h -- Looking for C++ include pthread.h - found -- Atomic operations found -- Performing Test PTHREAD_SETAFFINITY -- Performing Test PTHREAD_SETAFFINITY - Success -- Checking for GCC x86 inline asm -- Checking for GCC x86 inline asm - supported -- Detected build CPU vendor - Intel -- Detected build CPU brand - Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz -- Detected build CPU family - 6 -- Detected build CPU model - 45 -- Detected build CPU stepping - 7 -- Detected build CPU features - aes apic avx clfsh cmov cx8 cx16 htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdtscp sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic -- Disabling RDTSCP support -- Checking for 64-bit off_t -- Checking for 64-bit off_t - present -- Checking for fseeko/ftello -- Checking for fseeko/ftello - present -- Checking for SIGUSR1 -- Checking for SIGUSR1 - found -- Checking for pipe support -- Checking for system XDR support -- Checking for system XDR support - present -- SIMD instructions disabled -- Performing Test _callconv___vectorcall -- Performing Test _callconv___vectorcall - Failed -- Performing Test _callconv___regcall -- Performing Test _callconv___regcall - Failed -- Performing Test _callconv_ -- Performing Test _callconv_ - Success -- pkg-config could not detect fftw3f, trying generic detection -- Looking for fftwf_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_plan_many_dft in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Looking for fftwf_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_plan_many_dft_r2c in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Looking for fftwf_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_plan_many_dft_c2r in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Looking for fftwf_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_have_simd_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so - not found -- Looking for fftwf_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_have_sse in /usr/lib/x86_64-linux-gnu/libfftw3f.so - not found -- Looking for fftwf_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3f.so -- Looking for fftwf_have_simd_sse2 in /usr/lib/x86_64-linux-gnu/libfftw3f.so - found -- Using external FFT library - FFTW3 -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Looking for sgemm_ -- Looking for sgemm_ - found -- Found BLAS: /usr/lib/x86_64-linux-gnu/libblas.so -- Looking for cheev_ -- Looking for cheev_ - not found -- Looking for cheev_ -- Looking for cheev_ - found -- A library with LAPACK API found. -- Checking for dlopen -- Performing Test HAVE_DLOPEN -- Performing Test HAVE_DLOPEN - Success -- Checking for dlopen - found -- Using dynamic plugins (e.g VMD-supported file formats) -- Checking for suitable VMD version -- VMD plugins not found. Path to VMD can be set with VMDDIR. -- Using default binary suffix: "" -- Using default library suffix: "" -- Found Sphinx: /usr/bin/sphinx-build (found suitable version "3.4.3", minimum required is "1.6.1") found components: pygments -- Found LATEX: /usr/bin/latex -- Performing Test HAVE_NO_DEPRECATED_COPY -- Performing Test HAVE_NO_DEPRECATED_COPY - Success -- Performing Test HAS_NO_STRINGOP_TRUNCATION -- Performing Test HAS_NO_STRINGOP_TRUNCATION - Success -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION -- Performing Test HAS_NO_UNUSED_MEMBER_FUNCTION - Success -- Performing Test HAS_NO_REDUNDANT_MOVE -- Performing Test HAS_NO_REDUNDANT_MOVE - Success -- Performing Test HAS_NO_UNUSED -- Performing Test HAS_NO_UNUSED - Success -- Performing Test HAS_NO_UNUSED_PARAMETER -- Performing Test HAS_NO_UNUSED_PARAMETER - Success -- Performing Test HAS_NO_MISSING_DECLARATIONS -- Performing Test HAS_NO_MISSING_DECLARATIONS - Success -- Performing Test HAS_NO_NULL_CONVERSIONS -- Performing Test HAS_NO_NULL_CONVERSIONS - Success -- Performing Test HAS_NO_CLASS_MEMACCESS -- Performing Test HAS_NO_CLASS_MEMACCESS - Success -- Check if the system is big endian -- Searching 16 bit integer -- Searching 16 bit integer - Using unsigned short -- Check if the system is big endian - little endian -- Looking for inttypes.h -- Looking for inttypes.h - found -- Found Doxygen: /usr/bin/doxygen (found version "1.9.1") found components: doxygen dot -- Configuring done -- Generating done -- Build files have been written to: /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /usr/bin/make -j4 gmx -C build/documentation make[1]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/make -f CMakeFiles/Makefile2 gmx make[2]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/CMakeFiles 53 /usr/bin/make -f CMakeFiles/Makefile2 src/programs/CMakeFiles/gmx.dir/all make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/CMakeFiles/release-version-info.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color= Scanning dependencies of target release-version-info make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/gromacs-lj8Hdg/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake Scanning dependencies of target scanner make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/parser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parser.cpp Scanning dependencies of target mdrun_objlib make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/mdrun.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' Scanning dependencies of target tng_io_obj make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwlzh.c [ 0%] Built target release-version-info cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/mdrun/nonbonded_bench.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/bwt.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/coder.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/dict.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/fixpoint.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffman.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/huffmem.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/lz77.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/merge_sort.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/mtf.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/rle.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/tng_compress.c /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_zlib.dir/build.make src/gromacs/CMakeFiles/tng_io_zlib.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/tng_io_zlib.dir/DependInfo.cmake --color= Scanning dependencies of target tng_io_zlib make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_zlib.dir/build.make src/gromacs/CMakeFiles/tng_io_zlib.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/adler32.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib/adler32.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/compress.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib/compress.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/vals16.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/crc32.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib/crc32.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/warnmalloc.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/widemuldiv.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/deflate.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib/deflate.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc2.c make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 0%] Built target mdrun_objlib /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color= Scanning dependencies of target lmfit_objlib make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -std=c++14 -o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit/lmmin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inffast.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib/inffast.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/selection && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-unused -Wno-unused-parameter -Wno-missing-declarations -Wno-null-conversion -std=c++14 -o CMakeFiles/scanner.dir/scanner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inflate.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib/inflate.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/compression/xtc3.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inftrees.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib/inftrees.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/trees.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib/trees.c make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 0%] Built target lmfit_objlib cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/uncompr.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib/uncompr.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/zutil.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib/zutil.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -DUSE_STD_INTTYPES_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/tng_io.c cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cc -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -I/build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/external/zlib -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/src/lib/md5.c /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 1%] Built target scanner /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color= Scanning dependencies of target linearalgebra make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/eigensolver.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/eigensolver.cpp Scanning dependencies of target thread_mpi make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/errhandler.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 3%] Built target tng_io_zlib /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color= Scanning dependencies of target modularsimulator make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/checkpointhelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/tmpi_malloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/atomic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/lock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/pthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/gmx_arpack.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/system_error.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/alltoall.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/alltoall.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_protocol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/p2p_protocol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/barrier.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/barrier.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_send_recv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/p2p_send_recv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/bcast.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/bcast.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/p2p_wait.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/compositesimulatorelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/collective.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/profile.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/profile.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/comm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/comm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/computeglobalselement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/reduce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/reduce.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/event.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/event.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/reduce_fast.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/reduce_fast.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/gather.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/gather.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scatter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/scatter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/group.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/group.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_init.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/tmpi_init.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/matrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/matrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/list.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/list.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/nrjac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/nrjac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/type.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/type.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-stringop-truncation -std=c++14 -o CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra/sparsematrix.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 3%] Built target linearalgebra /usr/bin/make -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/fileio /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color= Scanning dependencies of target vmddlopen make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/fileio && /usr/bin/c++ -DGMX_DOUBLE=0 -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/vmddlopen.dir/__/__/external/vmd_molfile/vmddlopen.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/vmd_molfile/vmddlopen.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 3%] Built target vmddlopen cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/scan.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/constraintelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/constraintelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/domdechelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/domdechelper.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 5%] Built target tng_io_obj cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/numa_malloc.cpp /usr/bin/make -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/view_objlib.dir/DependInfo.cmake --color= Scanning dependencies of target view_objlib make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/view_objlib.dir/view/view.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/view/view.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 5%] Built target view_objlib cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/src/once.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/energyelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/energyelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/forceelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/forceelement.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 9%] Built target thread_mpi cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/freeenergyperturbationelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/modularsimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/parrinellorahmanbarostat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/pmeloadbalancehelper.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/propagator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/propagator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/shellfcelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/signallers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/signallers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/statepropagatordata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/topologyholder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/topologyholder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/trajectoryelement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -Wno-redundant-move -std=c++14 -o CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator/vrescalethermostat.cpp make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 11%] Built target modularsimulator /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cmake -D VERSION_VARIABLES=/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/VersionInfo.cmake -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion-gen.cpp.cmakein -D VERSION_OUT=utility/baseversion-gen.cpp -D GMX_SOURCE_DOI= -D GMX_RELEASE_HASH= -D GMX_SOURCE_HASH= -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxConfigureVersionInfo.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cmake -E touch utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color= Scanning dependencies of target libgromacs make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/alignedallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/any.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/any.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/basenetwork.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/baseversion.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/binaryinformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/coolstuff.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/cstringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/datafilefinder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/directoryenumerator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorcodes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/errorformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/exceptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fatalerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/fileredirector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/filestream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/futil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/futil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxassert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/gmxomp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/ikeyvaluetreeerror.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/init.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/init.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/inmemoryserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/int64_to_int.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreemdpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreeserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/keyvaluetreetransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/logger.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/logger.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/loggerbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/messagestringcollector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/mpiinplacebuffers.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/niceheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/path.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/path.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/physicalnodecommunicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/pleasecite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/programcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/smalloc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strconvert.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/strdb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringstream.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/stringutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/sysinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textreader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/textwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/utility/txtdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/atomdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/benchmark/bench_system.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/gridset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernel_common.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_gpu_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_reference/kernel_ref_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_geometry.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/nbnxm_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlist_tuning.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairlistset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/pairsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/nbnxm/prunekerneldispatch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinehelpwriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineinit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlinemodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineoptionsmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/cmdlineprogramcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/filenm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/pargs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/shellcompletions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/commandline/viewit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/atomdistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/box.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/box.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/cellsizes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/collect.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/distribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dlbtiming.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_constraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_setup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_specatomcomm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/domdec_vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/dump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/ga2la.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/gpuhaloexchange_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomset.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/localatomsetmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/mdsetup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/partition.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/domdec/utility.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/3dtransforms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/coordinatetransformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/densityfittingforce.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/do_fit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/exponentialmovingaverage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/math/functions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/functions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/gausstransform.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/invertmatrix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/math/units.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/units.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/math/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/veccompare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/math/vecdump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/df_history.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/group.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/iforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -Wno-class-memaccess -o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/inputrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/md_enums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/observableshistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpformat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helptopic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/helpwritercontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/onlinehelp/rstparser.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/boxutilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/mshift.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbc_simd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcenums.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/pbcmethods.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pbcutil/rmpbc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/random/seed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/seed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/random/tabulatednormaldistribution.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/cubicsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/forcetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/quadraticsplinetable.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tables/splineutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/cyclecounter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/wallcycle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/timing/walltime_accounting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomprop.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/atomsbuilder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/block.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/block.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/exclusionblocks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/forcefieldparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/idef.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/idef.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/ifunc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/index.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/index.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/invblock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/mtop_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/residuetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/symtab.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/topology/topsort.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/swap/swapcoords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/essentialdynamics/edsam.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/output.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/output.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pull_rotation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/pulling/pullutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/awh.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/awh.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/bias.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/bias.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasparams.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biassharing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biasstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/biaswriter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/coordstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationhistory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/correlationtensor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/histogramsize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/pointstate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/awh/read_params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/simd/support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/simd/support.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/imd/imdsocket.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/anadih.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/anadih.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/angle_correction.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/angle_correction.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/binsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/binsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/cmat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/cmat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/dens_filter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/dens_filter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/dlist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/dlist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/eigio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/eigio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/fitahx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/fitahx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_anaeig.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_anaeig.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_analyze.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_analyze.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_angle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_angle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_awh.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_awh.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_bar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_bar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_bundle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_bundle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_chi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_chi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_cluster.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_cluster.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_clustsize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_clustsize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_confrms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_confrms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_covar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_covar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_current.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_current.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_density.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_density.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_densmap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_densmap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_densorder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_densorder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_dielectric.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_dielectric.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_dipoles.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_dipoles.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_disre.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_disre.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_do_dssp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_do_dssp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_dos.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_dos.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_dyecoupl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_dyecoupl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_enemat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_enemat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_energy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_energy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_filter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_filter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_gyrate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_gyrate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_h2order.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_h2order.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_hbond.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_hbond.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_helix.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_helix.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_helixorient.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_helixorient.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_hydorder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_hydorder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_lie.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_lie.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_make_edi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_make_edi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_mdmat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_mdmat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_mindist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_mindist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_msd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_msd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_nmeig.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_nmeig.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_nmens.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_nmens.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_nmr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_nmr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_nmtraj.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_nmtraj.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_order.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_order.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_polystat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_polystat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_potential.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_potential.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_principal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_principal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rama.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rama.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rmsdist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rmsdist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rmsf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rmsf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rotacf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rotacf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_rotmat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_rotmat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_saltbr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_saltbr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_sans.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_sans.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_saxs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_saxs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_sham.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_sham.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_sigeps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_sigeps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_sorient.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_sorient.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_spatial.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_spatial.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_spol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_spol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_tcaf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_tcaf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_traj.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_traj.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_trjorder.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_trjorder.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_vanhove.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_vanhove.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_velacc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_velacc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_wham.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_wham.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_wheel.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_wheel.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/gmx_xpm2ps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/gmx_xpm2ps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/hxprops.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/hxprops.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/nrama.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/nrama.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/nsfactor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/nsfactor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/powerspect.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/powerspect.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/pp2shift.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/pp2shift.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/princ.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/princ.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/sfactor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/sfactor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxana/thermochemistry.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxana/thermochemistry.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/add_par.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/add_par.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/calch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/calch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/convparm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/convparm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/editconf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/editconf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/fflibutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/fflibutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_ad.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gen_ad.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_maxwell_velocities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gen_maxwell_velocities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gen_vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/genconf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/genconf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/genhydro.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/genhydro.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/genion.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/genion.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/genrestr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/genrestr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gmxcpp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gmxcpp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_atomtype.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gpp_atomtype.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_bond_atomtype.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gpp_bond_atomtype.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_nextnb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/gpp_nextnb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/grompp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/grompp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/h_db.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/h_db.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/hackblock.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/hackblock.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/hizzie.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/hizzie.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/insert_molecules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/insert_molecules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/makeexclusiondistances.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/makeexclusiondistances.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/nm2type.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/nm2type.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/pdb2gmx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/pdb2gmx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/pdb2top.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/pdb2top.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/pgutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/pgutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/readir.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/readir.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/readpull.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/readpull.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/readrot.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/readrot.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/resall.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/resall.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/solvate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/solvate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/specbond.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/specbond.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/ter_db.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/ter_db.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/tomorse.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/tomorse.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/topdirs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/topdirs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/topio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/topio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/toppush.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/toppush.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/topshake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/topshake.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/toputil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/toputil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/vsite_parm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/vsite_parm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/x2top.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/x2top.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxpreprocess/xlate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxpreprocess/xlate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/autocorr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/autocorr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/crosscorr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/crosscorr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/expfit.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/expfit.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/gmx_lmcurve.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/gmx_lmcurve.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/integrate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/integrate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/manyautocorrelation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/manyautocorrelation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/correlationfunctions/polynomials.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/correlationfunctions/polynomials.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/statistics/statistics.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/statistics/statistics.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/abstractdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/abstractdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/analysisdata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/analysisdata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/arraydata.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/arraydata.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/dataframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/dataframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/datamodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/datamodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/datamodulemanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/datamodulemanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/dataproxy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/dataproxy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/datastorage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/datastorage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/average.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/average.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/displacement.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/displacement.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/frameaverager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/frameaverager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/histogram.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/histogram.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/lifetime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/lifetime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/analysisdata/modules/plot.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/analysisdata/modules/plot.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/coordinatefile.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/coordinatefile.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadaptercontainer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadaptercontainer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/outputselector.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/outputselector.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setatoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setatoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setforces.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setforces.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setprecision.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setprecision.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setstarttime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setstarttime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/settimestep.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/settimestep.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setvelocities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/outputadapters/setvelocities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/coordinateio/requirements.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/coordinateio/requirements.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/analysismodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/analysismodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/analysissettings.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/analysissettings.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/cmdlinerunner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/cmdlinerunner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/angle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/angle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/convert_trj.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/convert_trj.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/distance.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/distance.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/extract_cluster.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/extract_cluster.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/freevolume.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/freevolume.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/pairdist.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/pairdist.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/rdf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/rdf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/sasa.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/sasa.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/select.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/select.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/surfacearea.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/surfacearea.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/trajectory.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/modules/trajectory.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/runnercommon.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/runnercommon.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectoryanalysis/topologyinformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectoryanalysis/topologyinformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tools/check.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/check.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tools/convert_tpr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/convert_tpr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tools/dump.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/dump.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tools/eneconv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/eneconv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tools/make_ndx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/make_ndx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tools/mk_angndx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/mk_angndx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tools/pme_error.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/pme_error.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tools/report_methods.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/report_methods.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tools/trjcat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/trjcat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tools/trjconv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/trjconv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/tools/tune_pme.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/tools/tune_pme.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/conformation_utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/network.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nrnb.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/boxdeformation.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/broadcaststructs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calc_verletbuf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcmu.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/calcvir.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/checkpointhandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/compute_io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/constraintrange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/coupling.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/dispersioncorrection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/ebin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/enerdata_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/energyoutput.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/expanded_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/force.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/forcerec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/gmx_omp_nthreads.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/groupcoord.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/lincs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/md_support.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdatoms.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdebin_bar.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/mdoutf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/membed.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/nsgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/perf_est.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gamess.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_gaussian.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_mopac.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qm_orca.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/qmmm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rbin.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/resethandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/rf_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/settle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/shake.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sighandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/sim_util.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/simulationsignal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/splitter.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stat.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/stophandler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/tgroup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/trajectory_writing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/update_constrain_cuda_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroups.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/updategroupscog.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vcm.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/vsite.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdlib/wall.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfitting.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingamplitudelookup.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingforceprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingoutputprovider.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/densityfittingparameters.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/applied_forces/electricfield.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/bonded.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/disre.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/gpubonded_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_forces.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/listed_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/manage_threading.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/orires.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/pairs.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/position_restraints.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/listed_forces/restcbt.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/calculate_spline_moduli.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/ewald_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/long_range_correction.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gather.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_grid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_load_balancing.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_only.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_redistribute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_solve.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spline_work.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_spread.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_pp_comm_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_force_sender_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/ewald/pme_gpu_program_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/calcgrid.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft5d.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/parallel_3dfft.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fft/fft_fftw3.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/clfftinitializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/hostallocator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_utils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/gpu_utils/gpu_testutils.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/cpuinfo.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/detecthardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/gpu_hw_info.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/hardwaretopology.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/printhardware.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/hardware/identifyavx512fmaunits.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacymdrunoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/legacysimulator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/md.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mdmodules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/mimic.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/minimize.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/replicaexchange.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/rerun.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/runner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/shellfc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/simulationcontext.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrun/tpi.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/handlerestart.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/logging.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/multisim.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/printtime.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdrunutility/threadaffinity.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mdtypes/state_propagator_data_gpu_impl.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/abstractsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/basicoptions.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/behaviorcollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/filenameoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/options/options.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/options.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsassigner.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/optionsvisitor.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/timeunitmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/options/treesupport.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/manager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/restraint/restraintmdmodule.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidegpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/decidesimulationworkload.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/findallgputasks.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/reportgpuusage.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/resourcedivision.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/taskassignment.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/taskassignment/usergpuids.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/energyframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/trajectory/trajectoryframe.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/communicator.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/mimic/utilities.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/utility/baseversion-gen.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/checkpoint.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/confio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/enxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/espio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/filetypes.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/g96io.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmx_internal_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/gmxfio_xdr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/groio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/libxdrf.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/matio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/md5.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymap.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcdensitymapheader.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mrcserializer.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/mtxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/oenv.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/pdbio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/readinp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/timecontrol.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tngio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/tpxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trrio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/trxio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/vmdio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/warninp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/writeps.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xdrd.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xtcio.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio/xvgr.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/centerofmass.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/compiler.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/evaluate.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/indexutil.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/mempool.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/nbsearch.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/params.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/params.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/parsetree.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/poscalc.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/scanner_internal.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectioncollection.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoption.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionbehavior.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selectionoptionmanager.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selelem.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selhelp.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selmethod.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/selvalue.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_compare.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_distance.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_insolidangle.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_keywords.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_merge.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_permute.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_position.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_same.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/sm_simple.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -DUSE_STD_INTTYPES_H -Dlibgromacs_EXPORTS -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/thread_mpi/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/tng_io/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/tng/include -isystem /build/gromacs-lj8Hdg/gromacs-2020.6/src/external/lmfit -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -fPIC -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection/symrec.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cmake -E cmake_link_script CMakeFiles/libgromacs.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libgromacs.so.5 -o ../../lib/libgromacs.so.5.0.0 CMakeFiles/libgromacs.dir/utility/alignedallocator.cpp.o CMakeFiles/libgromacs.dir/utility/any.cpp.o CMakeFiles/libgromacs.dir/utility/basenetwork.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion.cpp.o CMakeFiles/libgromacs.dir/utility/binaryinformation.cpp.o CMakeFiles/libgromacs.dir/utility/compare.cpp.o CMakeFiles/libgromacs.dir/utility/coolstuff.cpp.o CMakeFiles/libgromacs.dir/utility/cstringutil.cpp.o CMakeFiles/libgromacs.dir/utility/datafilefinder.cpp.o CMakeFiles/libgromacs.dir/utility/directoryenumerator.cpp.o CMakeFiles/libgromacs.dir/utility/errorcodes.cpp.o CMakeFiles/libgromacs.dir/utility/errorformat.cpp.o CMakeFiles/libgromacs.dir/utility/exceptions.cpp.o CMakeFiles/libgromacs.dir/utility/fatalerror.cpp.o CMakeFiles/libgromacs.dir/utility/fileredirector.cpp.o CMakeFiles/libgromacs.dir/utility/filestream.cpp.o CMakeFiles/libgromacs.dir/utility/futil.cpp.o CMakeFiles/libgromacs.dir/utility/gmxassert.cpp.o CMakeFiles/libgromacs.dir/utility/gmxomp.cpp.o CMakeFiles/libgromacs.dir/utility/ikeyvaluetreeerror.cpp.o CMakeFiles/libgromacs.dir/utility/init.cpp.o CMakeFiles/libgromacs.dir/utility/inmemoryserializer.cpp.o CMakeFiles/libgromacs.dir/utility/int64_to_int.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetree.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreemdpwriter.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreeserializer.cpp.o CMakeFiles/libgromacs.dir/utility/keyvaluetreetransform.cpp.o CMakeFiles/libgromacs.dir/utility/logger.cpp.o CMakeFiles/libgromacs.dir/utility/loggerbuilder.cpp.o CMakeFiles/libgromacs.dir/utility/messagestringcollector.cpp.o CMakeFiles/libgromacs.dir/utility/mpiinplacebuffers.cpp.o CMakeFiles/libgromacs.dir/utility/niceheader.cpp.o CMakeFiles/libgromacs.dir/utility/path.cpp.o CMakeFiles/libgromacs.dir/utility/physicalnodecommunicator.cpp.o CMakeFiles/libgromacs.dir/utility/pleasecite.cpp.o CMakeFiles/libgromacs.dir/utility/programcontext.cpp.o CMakeFiles/libgromacs.dir/utility/smalloc.cpp.o CMakeFiles/libgromacs.dir/utility/strconvert.cpp.o CMakeFiles/libgromacs.dir/utility/strdb.cpp.o CMakeFiles/libgromacs.dir/utility/stringstream.cpp.o CMakeFiles/libgromacs.dir/utility/stringutil.cpp.o CMakeFiles/libgromacs.dir/utility/sysinfo.cpp.o CMakeFiles/libgromacs.dir/utility/textreader.cpp.o CMakeFiles/libgromacs.dir/utility/textwriter.cpp.o CMakeFiles/libgromacs.dir/utility/txtdump.cpp.o CMakeFiles/libgromacs.dir/nbnxm/atomdata.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/benchmark/bench_system.cpp.o CMakeFiles/libgromacs.dir/nbnxm/grid.cpp.o CMakeFiles/libgromacs.dir/nbnxm/gridset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernel_common.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kerneldispatch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_gpu_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_reference/kernel_ref_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_2xmm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp.o CMakeFiles/libgromacs.dir/nbnxm/kernels_simd_4xm/kernel_prune.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_geometry.cpp.o CMakeFiles/libgromacs.dir/nbnxm/nbnxm_setup.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlist_tuning.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistparams.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairlistset.cpp.o CMakeFiles/libgromacs.dir/nbnxm/pairsearch.cpp.o CMakeFiles/libgromacs.dir/nbnxm/prunekerneldispatch.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinehelpwriter.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineinit.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlinemodulemanager.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineoptionsmodule.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineparser.cpp.o CMakeFiles/libgromacs.dir/commandline/cmdlineprogramcontext.cpp.o CMakeFiles/libgromacs.dir/commandline/filenm.cpp.o CMakeFiles/libgromacs.dir/commandline/pargs.cpp.o CMakeFiles/libgromacs.dir/commandline/shellcompletions.cpp.o CMakeFiles/libgromacs.dir/commandline/viewit.cpp.o CMakeFiles/libgromacs.dir/domdec/atomdistribution.cpp.o CMakeFiles/libgromacs.dir/domdec/box.cpp.o CMakeFiles/libgromacs.dir/domdec/cellsizes.cpp.o CMakeFiles/libgromacs.dir/domdec/collect.cpp.o CMakeFiles/libgromacs.dir/domdec/distribute.cpp.o CMakeFiles/libgromacs.dir/domdec/dlb.cpp.o CMakeFiles/libgromacs.dir/domdec/dlbtiming.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_constraints.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_network.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_setup.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_specatomcomm.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_topology.cpp.o CMakeFiles/libgromacs.dir/domdec/domdec_vsite.cpp.o CMakeFiles/libgromacs.dir/domdec/dump.cpp.o CMakeFiles/libgromacs.dir/domdec/ga2la.cpp.o CMakeFiles/libgromacs.dir/domdec/gpuhaloexchange_impl.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomset.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetdata.cpp.o CMakeFiles/libgromacs.dir/domdec/localatomsetmanager.cpp.o CMakeFiles/libgromacs.dir/domdec/mdsetup.cpp.o CMakeFiles/libgromacs.dir/domdec/partition.cpp.o CMakeFiles/libgromacs.dir/domdec/redistribute.cpp.o CMakeFiles/libgromacs.dir/domdec/utility.cpp.o CMakeFiles/libgromacs.dir/math/3dtransforms.cpp.o CMakeFiles/libgromacs.dir/math/coordinatetransformation.cpp.o CMakeFiles/libgromacs.dir/math/densityfit.cpp.o CMakeFiles/libgromacs.dir/math/densityfittingforce.cpp.o CMakeFiles/libgromacs.dir/math/do_fit.cpp.o CMakeFiles/libgromacs.dir/math/exponentialmovingaverage.cpp.o CMakeFiles/libgromacs.dir/math/functions.cpp.o CMakeFiles/libgromacs.dir/math/gausstransform.cpp.o CMakeFiles/libgromacs.dir/math/invertmatrix.cpp.o CMakeFiles/libgromacs.dir/math/units.cpp.o CMakeFiles/libgromacs.dir/math/utilities.cpp.o CMakeFiles/libgromacs.dir/math/veccompare.cpp.o CMakeFiles/libgromacs.dir/math/vecdump.cpp.o CMakeFiles/libgromacs.dir/mdtypes/df_history.cpp.o CMakeFiles/libgromacs.dir/mdtypes/group.cpp.o CMakeFiles/libgromacs.dir/mdtypes/iforceprovider.cpp.o CMakeFiles/libgromacs.dir/mdtypes/inputrec.cpp.o CMakeFiles/libgromacs.dir/mdtypes/md_enums.cpp.o CMakeFiles/libgromacs.dir/mdtypes/observableshistory.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpformat.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpmanager.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helptopic.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/helpwritercontext.cpp.o CMakeFiles/libgromacs.dir/onlinehelp/rstparser.cpp.o CMakeFiles/libgromacs.dir/pbcutil/boxutilities.cpp.o CMakeFiles/libgromacs.dir/pbcutil/mshift.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbc_simd.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcenums.cpp.o CMakeFiles/libgromacs.dir/pbcutil/pbcmethods.cpp.o CMakeFiles/libgromacs.dir/pbcutil/rmpbc.cpp.o CMakeFiles/libgromacs.dir/random/seed.cpp.o CMakeFiles/libgromacs.dir/random/tabulatednormaldistribution.cpp.o CMakeFiles/libgromacs.dir/tables/cubicsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/forcetable.cpp.o CMakeFiles/libgromacs.dir/tables/quadraticsplinetable.cpp.o CMakeFiles/libgromacs.dir/tables/splineutil.cpp.o CMakeFiles/libgromacs.dir/timing/cyclecounter.cpp.o CMakeFiles/libgromacs.dir/timing/wallcycle.cpp.o CMakeFiles/libgromacs.dir/timing/walltime_accounting.cpp.o CMakeFiles/libgromacs.dir/topology/atomprop.cpp.o CMakeFiles/libgromacs.dir/topology/atoms.cpp.o CMakeFiles/libgromacs.dir/topology/atomsbuilder.cpp.o CMakeFiles/libgromacs.dir/topology/block.cpp.o CMakeFiles/libgromacs.dir/topology/exclusionblocks.cpp.o CMakeFiles/libgromacs.dir/topology/forcefieldparameters.cpp.o CMakeFiles/libgromacs.dir/topology/idef.cpp.o CMakeFiles/libgromacs.dir/topology/ifunc.cpp.o CMakeFiles/libgromacs.dir/topology/index.cpp.o CMakeFiles/libgromacs.dir/topology/invblock.cpp.o CMakeFiles/libgromacs.dir/topology/mtop_util.cpp.o CMakeFiles/libgromacs.dir/topology/residuetypes.cpp.o CMakeFiles/libgromacs.dir/topology/symtab.cpp.o CMakeFiles/libgromacs.dir/topology/topology.cpp.o CMakeFiles/libgromacs.dir/topology/topsort.cpp.o CMakeFiles/libgromacs.dir/swap/swapcoords.cpp.o CMakeFiles/libgromacs.dir/essentialdynamics/edsam.cpp.o CMakeFiles/libgromacs.dir/pulling/output.cpp.o CMakeFiles/libgromacs.dir/pulling/pull.cpp.o CMakeFiles/libgromacs.dir/pulling/pull_rotation.cpp.o CMakeFiles/libgromacs.dir/pulling/pullutil.cpp.o CMakeFiles/libgromacs.dir/awh/awh.cpp.o CMakeFiles/libgromacs.dir/awh/bias.cpp.o CMakeFiles/libgromacs.dir/awh/biasparams.cpp.o CMakeFiles/libgromacs.dir/awh/biassharing.cpp.o CMakeFiles/libgromacs.dir/awh/biasstate.cpp.o CMakeFiles/libgromacs.dir/awh/biaswriter.cpp.o CMakeFiles/libgromacs.dir/awh/coordstate.cpp.o CMakeFiles/libgromacs.dir/awh/correlationgrid.cpp.o CMakeFiles/libgromacs.dir/awh/correlationhistory.cpp.o CMakeFiles/libgromacs.dir/awh/correlationtensor.cpp.o CMakeFiles/libgromacs.dir/awh/grid.cpp.o CMakeFiles/libgromacs.dir/awh/histogramsize.cpp.o CMakeFiles/libgromacs.dir/awh/pointstate.cpp.o CMakeFiles/libgromacs.dir/awh/read_params.cpp.o CMakeFiles/libgromacs.dir/simd/support.cpp.o CMakeFiles/libgromacs.dir/imd/imd.cpp.o CMakeFiles/libgromacs.dir/imd/imdsocket.cpp.o CMakeFiles/libgromacs.dir/gmxana/anadih.cpp.o CMakeFiles/libgromacs.dir/gmxana/angle_correction.cpp.o CMakeFiles/libgromacs.dir/gmxana/binsearch.cpp.o CMakeFiles/libgromacs.dir/gmxana/cmat.cpp.o CMakeFiles/libgromacs.dir/gmxana/dens_filter.cpp.o CMakeFiles/libgromacs.dir/gmxana/dlist.cpp.o CMakeFiles/libgromacs.dir/gmxana/eigio.cpp.o CMakeFiles/libgromacs.dir/gmxana/fitahx.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_anaeig.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_analyze.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_angle.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_awh.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_bar.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_bundle.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_chi.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_cluster.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_clustsize.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_confrms.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_covar.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_current.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_density.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_densmap.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_densorder.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_dielectric.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_dipoles.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_disre.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_do_dssp.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_dos.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_dyecoupl.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_enemat.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_energy.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_filter.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_gyrate.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_h2order.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_hbond.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_helix.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_helixorient.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_hydorder.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_lie.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_make_edi.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_mdmat.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_mindist.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_msd.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_nmeig.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_nmens.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_nmr.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_nmtraj.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_order.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_polystat.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_potential.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_principal.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rama.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rms.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rmsdist.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rmsf.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rotacf.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_rotmat.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_saltbr.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_sans.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_saxs.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_sham.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_sigeps.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_sorient.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_spatial.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_spol.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_tcaf.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_traj.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_trjorder.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_vanhove.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_velacc.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_wham.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_wheel.cpp.o CMakeFiles/libgromacs.dir/gmxana/gmx_xpm2ps.cpp.o CMakeFiles/libgromacs.dir/gmxana/hxprops.cpp.o CMakeFiles/libgromacs.dir/gmxana/nrama.cpp.o CMakeFiles/libgromacs.dir/gmxana/nsfactor.cpp.o CMakeFiles/libgromacs.dir/gmxana/powerspect.cpp.o CMakeFiles/libgromacs.dir/gmxana/pp2shift.cpp.o CMakeFiles/libgromacs.dir/gmxana/princ.cpp.o CMakeFiles/libgromacs.dir/gmxana/sfactor.cpp.o CMakeFiles/libgromacs.dir/gmxana/thermochemistry.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/add_par.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/calch.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/convparm.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/editconf.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/fflibutil.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_ad.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_maxwell_velocities.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gen_vsite.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/genconf.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/genhydro.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/genion.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/genrestr.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gmxcpp.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_atomtype.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_bond_atomtype.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/gpp_nextnb.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/grompp.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/h_db.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/hackblock.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/hizzie.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/insert_molecules.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/makeexclusiondistances.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/nm2type.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/pdb2gmx.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/pdb2top.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/pgutil.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/readir.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/readpull.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/readrot.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/resall.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/solvate.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/specbond.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/ter_db.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/tomorse.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/topdirs.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/topio.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/toppush.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/topshake.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/toputil.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/vsite_parm.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/x2top.cpp.o CMakeFiles/libgromacs.dir/gmxpreprocess/xlate.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/autocorr.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/crosscorr.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/expfit.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/gmx_lmcurve.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/integrate.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/manyautocorrelation.cpp.o CMakeFiles/libgromacs.dir/correlationfunctions/polynomials.cpp.o CMakeFiles/libgromacs.dir/statistics/statistics.cpp.o CMakeFiles/libgromacs.dir/analysisdata/abstractdata.cpp.o CMakeFiles/libgromacs.dir/analysisdata/analysisdata.cpp.o CMakeFiles/libgromacs.dir/analysisdata/arraydata.cpp.o CMakeFiles/libgromacs.dir/analysisdata/dataframe.cpp.o CMakeFiles/libgromacs.dir/analysisdata/datamodule.cpp.o CMakeFiles/libgromacs.dir/analysisdata/datamodulemanager.cpp.o CMakeFiles/libgromacs.dir/analysisdata/dataproxy.cpp.o CMakeFiles/libgromacs.dir/analysisdata/datastorage.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/average.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/displacement.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/frameaverager.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/histogram.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/lifetime.cpp.o CMakeFiles/libgromacs.dir/analysisdata/modules/plot.cpp.o CMakeFiles/libgromacs.dir/coordinateio/coordinatefile.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadaptercontainer.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/outputselector.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setatoms.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setforces.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setprecision.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setstarttime.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/settimestep.cpp.o CMakeFiles/libgromacs.dir/coordinateio/outputadapters/setvelocities.cpp.o CMakeFiles/libgromacs.dir/coordinateio/requirements.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/analysismodule.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/analysissettings.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/cmdlinerunner.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/angle.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/convert_trj.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/distance.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/extract_cluster.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/freevolume.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/pairdist.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/rdf.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/sasa.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/select.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/surfacearea.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/modules/trajectory.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/runnercommon.cpp.o CMakeFiles/libgromacs.dir/trajectoryanalysis/topologyinformation.cpp.o CMakeFiles/libgromacs.dir/tools/check.cpp.o CMakeFiles/libgromacs.dir/tools/convert_tpr.cpp.o CMakeFiles/libgromacs.dir/tools/dump.cpp.o CMakeFiles/libgromacs.dir/tools/eneconv.cpp.o CMakeFiles/libgromacs.dir/tools/make_ndx.cpp.o CMakeFiles/libgromacs.dir/tools/mk_angndx.cpp.o CMakeFiles/libgromacs.dir/tools/pme_error.cpp.o CMakeFiles/libgromacs.dir/tools/report_methods.cpp.o CMakeFiles/libgromacs.dir/tools/trjcat.cpp.o CMakeFiles/libgromacs.dir/tools/trjconv.cpp.o CMakeFiles/libgromacs.dir/tools/tune_pme.cpp.o CMakeFiles/libgromacs.dir/gmxlib/conformation_utilities.cpp.o CMakeFiles/libgromacs.dir/gmxlib/network.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nrnb.cpp.o CMakeFiles/libgromacs.dir/gmxlib/nonbonded/nb_free_energy.cpp.o CMakeFiles/libgromacs.dir/mdlib/boxdeformation.cpp.o CMakeFiles/libgromacs.dir/mdlib/broadcaststructs.cpp.o CMakeFiles/libgromacs.dir/mdlib/calc_verletbuf.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcmu.cpp.o CMakeFiles/libgromacs.dir/mdlib/calcvir.cpp.o CMakeFiles/libgromacs.dir/mdlib/checkpointhandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/compute_io.cpp.o CMakeFiles/libgromacs.dir/mdlib/constr.cpp.o CMakeFiles/libgromacs.dir/mdlib/constraintrange.cpp.o CMakeFiles/libgromacs.dir/mdlib/coupling.cpp.o CMakeFiles/libgromacs.dir/mdlib/dispersioncorrection.cpp.o CMakeFiles/libgromacs.dir/mdlib/ebin.cpp.o CMakeFiles/libgromacs.dir/mdlib/enerdata_utils.cpp.o CMakeFiles/libgromacs.dir/mdlib/energyoutput.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded.cpp.o CMakeFiles/libgromacs.dir/mdlib/expanded_internal.cpp.o CMakeFiles/libgromacs.dir/mdlib/force.cpp.o CMakeFiles/libgromacs.dir/mdlib/forcerec.cpp.o CMakeFiles/libgromacs.dir/mdlib/gmx_omp_nthreads.cpp.o CMakeFiles/libgromacs.dir/mdlib/groupcoord.cpp.o CMakeFiles/libgromacs.dir/mdlib/lincs.cpp.o CMakeFiles/libgromacs.dir/mdlib/md_support.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdatoms.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdebin_bar.cpp.o CMakeFiles/libgromacs.dir/mdlib/mdoutf.cpp.o CMakeFiles/libgromacs.dir/mdlib/membed.cpp.o CMakeFiles/libgromacs.dir/mdlib/nsgrid.cpp.o CMakeFiles/libgromacs.dir/mdlib/perf_est.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gamess.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_gaussian.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_mopac.cpp.o CMakeFiles/libgromacs.dir/mdlib/qm_orca.cpp.o CMakeFiles/libgromacs.dir/mdlib/qmmm.cpp.o CMakeFiles/libgromacs.dir/mdlib/rbin.cpp.o CMakeFiles/libgromacs.dir/mdlib/resethandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/rf_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/settle.cpp.o CMakeFiles/libgromacs.dir/mdlib/shake.cpp.o CMakeFiles/libgromacs.dir/mdlib/sighandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/sim_util.cpp.o CMakeFiles/libgromacs.dir/mdlib/simulationsignal.cpp.o CMakeFiles/libgromacs.dir/mdlib/splitter.cpp.o CMakeFiles/libgromacs.dir/mdlib/stat.cpp.o CMakeFiles/libgromacs.dir/mdlib/stophandler.cpp.o CMakeFiles/libgromacs.dir/mdlib/tgroup.cpp.o CMakeFiles/libgromacs.dir/mdlib/trajectory_writing.cpp.o CMakeFiles/libgromacs.dir/mdlib/update.cpp.o CMakeFiles/libgromacs.dir/mdlib/update_constrain_cuda_impl.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroups.cpp.o CMakeFiles/libgromacs.dir/mdlib/updategroupscog.cpp.o CMakeFiles/libgromacs.dir/mdlib/vcm.cpp.o CMakeFiles/libgromacs.dir/mdlib/vsite.cpp.o CMakeFiles/libgromacs.dir/mdlib/wall.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfitting.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingamplitudelookup.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingforceprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoptions.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingoutputprovider.cpp.o CMakeFiles/libgromacs.dir/applied_forces/densityfittingparameters.cpp.o CMakeFiles/libgromacs.dir/applied_forces/electricfield.cpp.o CMakeFiles/libgromacs.dir/listed_forces/bonded.cpp.o CMakeFiles/libgromacs.dir/listed_forces/disre.cpp.o CMakeFiles/libgromacs.dir/listed_forces/gpubonded_impl.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_forces.cpp.o CMakeFiles/libgromacs.dir/listed_forces/listed_internal.cpp.o CMakeFiles/libgromacs.dir/listed_forces/manage_threading.cpp.o CMakeFiles/libgromacs.dir/listed_forces/orires.cpp.o CMakeFiles/libgromacs.dir/listed_forces/pairs.cpp.o CMakeFiles/libgromacs.dir/listed_forces/position_restraints.cpp.o CMakeFiles/libgromacs.dir/listed_forces/restcbt.cpp.o CMakeFiles/libgromacs.dir/ewald/calculate_spline_moduli.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald.cpp.o CMakeFiles/libgromacs.dir/ewald/ewald_utils.cpp.o CMakeFiles/libgromacs.dir/ewald/long_range_correction.cpp.o CMakeFiles/libgromacs.dir/ewald/pme.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gather.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_grid.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_load_balancing.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_only.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_redistribute.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_solve.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spline_work.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_spread.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_pp_comm_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_coordinate_receiver_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_force_sender_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/ewald/pme_gpu_program_impl.cpp.o CMakeFiles/libgromacs.dir/fft/calcgrid.cpp.o CMakeFiles/libgromacs.dir/fft/fft.cpp.o CMakeFiles/libgromacs.dir/fft/fft5d.cpp.o CMakeFiles/libgromacs.dir/fft/parallel_3dfft.cpp.o CMakeFiles/libgromacs.dir/fft/fft_fftw3.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/clfftinitializer.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/hostallocator.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_utils.cpp.o CMakeFiles/libgromacs.dir/gpu_utils/gpu_testutils.cpp.o CMakeFiles/libgromacs.dir/hardware/cpuinfo.cpp.o CMakeFiles/libgromacs.dir/hardware/detecthardware.cpp.o CMakeFiles/libgromacs.dir/hardware/gpu_hw_info.cpp.o CMakeFiles/libgromacs.dir/hardware/hardwaretopology.cpp.o CMakeFiles/libgromacs.dir/hardware/printhardware.cpp.o CMakeFiles/libgromacs.dir/hardware/identifyavx512fmaunits.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacymdrunoptions.cpp.o CMakeFiles/libgromacs.dir/mdrun/legacysimulator.cpp.o CMakeFiles/libgromacs.dir/mdrun/md.cpp.o CMakeFiles/libgromacs.dir/mdrun/mdmodules.cpp.o CMakeFiles/libgromacs.dir/mdrun/mimic.cpp.o CMakeFiles/libgromacs.dir/mdrun/minimize.cpp.o CMakeFiles/libgromacs.dir/mdrun/replicaexchange.cpp.o CMakeFiles/libgromacs.dir/mdrun/rerun.cpp.o CMakeFiles/libgromacs.dir/mdrun/runner.cpp.o CMakeFiles/libgromacs.dir/mdrun/shellfc.cpp.o CMakeFiles/libgromacs.dir/mdrun/simulationcontext.cpp.o CMakeFiles/libgromacs.dir/mdrun/tpi.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/handlerestart.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/logging.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/multisim.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/printtime.cpp.o CMakeFiles/libgromacs.dir/mdrunutility/threadaffinity.cpp.o CMakeFiles/libgromacs.dir/mdtypes/state_propagator_data_gpu_impl.cpp.o CMakeFiles/libgromacs.dir/options/abstractoption.cpp.o CMakeFiles/libgromacs.dir/options/abstractsection.cpp.o CMakeFiles/libgromacs.dir/options/basicoptions.cpp.o CMakeFiles/libgromacs.dir/options/behaviorcollection.cpp.o CMakeFiles/libgromacs.dir/options/filenameoption.cpp.o CMakeFiles/libgromacs.dir/options/filenameoptionmanager.cpp.o CMakeFiles/libgromacs.dir/options/options.cpp.o CMakeFiles/libgromacs.dir/options/optionsassigner.cpp.o CMakeFiles/libgromacs.dir/options/optionsection.cpp.o CMakeFiles/libgromacs.dir/options/optionsvisitor.cpp.o CMakeFiles/libgromacs.dir/options/timeunitmanager.cpp.o CMakeFiles/libgromacs.dir/options/treesupport.cpp.o CMakeFiles/libgromacs.dir/restraint/manager.cpp.o CMakeFiles/libgromacs.dir/restraint/restraintmdmodule.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidegpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/decidesimulationworkload.cpp.o CMakeFiles/libgromacs.dir/taskassignment/findallgputasks.cpp.o CMakeFiles/libgromacs.dir/taskassignment/reportgpuusage.cpp.o CMakeFiles/libgromacs.dir/taskassignment/resourcedivision.cpp.o CMakeFiles/libgromacs.dir/taskassignment/taskassignment.cpp.o CMakeFiles/libgromacs.dir/taskassignment/usergpuids.cpp.o CMakeFiles/libgromacs.dir/trajectory/energyframe.cpp.o CMakeFiles/libgromacs.dir/trajectory/trajectoryframe.cpp.o CMakeFiles/libgromacs.dir/mimic/communicator.cpp.o CMakeFiles/libgromacs.dir/mimic/utilities.cpp.o CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o CMakeFiles/libgromacs.dir/fileio/checkpoint.cpp.o CMakeFiles/libgromacs.dir/fileio/confio.cpp.o CMakeFiles/libgromacs.dir/fileio/enxio.cpp.o CMakeFiles/libgromacs.dir/fileio/espio.cpp.o CMakeFiles/libgromacs.dir/fileio/filetypes.cpp.o CMakeFiles/libgromacs.dir/fileio/g96io.cpp.o CMakeFiles/libgromacs.dir/fileio/gmx_internal_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio.cpp.o CMakeFiles/libgromacs.dir/fileio/gmxfio_xdr.cpp.o CMakeFiles/libgromacs.dir/fileio/groio.cpp.o CMakeFiles/libgromacs.dir/fileio/libxdrf.cpp.o CMakeFiles/libgromacs.dir/fileio/matio.cpp.o CMakeFiles/libgromacs.dir/fileio/md5.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymap.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcdensitymapheader.cpp.o CMakeFiles/libgromacs.dir/fileio/mrcserializer.cpp.o CMakeFiles/libgromacs.dir/fileio/mtxio.cpp.o CMakeFiles/libgromacs.dir/fileio/oenv.cpp.o CMakeFiles/libgromacs.dir/fileio/pdbio.cpp.o CMakeFiles/libgromacs.dir/fileio/readinp.cpp.o CMakeFiles/libgromacs.dir/fileio/timecontrol.cpp.o CMakeFiles/libgromacs.dir/fileio/tngio.cpp.o CMakeFiles/libgromacs.dir/fileio/tpxio.cpp.o CMakeFiles/libgromacs.dir/fileio/trrio.cpp.o CMakeFiles/libgromacs.dir/fileio/trxio.cpp.o CMakeFiles/libgromacs.dir/fileio/vmdio.cpp.o CMakeFiles/libgromacs.dir/fileio/warninp.cpp.o CMakeFiles/libgromacs.dir/fileio/writeps.cpp.o CMakeFiles/libgromacs.dir/fileio/xdrd.cpp.o CMakeFiles/libgromacs.dir/fileio/xtcio.cpp.o CMakeFiles/libgromacs.dir/fileio/xvgr.cpp.o CMakeFiles/libgromacs.dir/selection/centerofmass.cpp.o CMakeFiles/libgromacs.dir/selection/compiler.cpp.o CMakeFiles/libgromacs.dir/selection/evaluate.cpp.o CMakeFiles/libgromacs.dir/selection/indexutil.cpp.o CMakeFiles/libgromacs.dir/selection/mempool.cpp.o CMakeFiles/libgromacs.dir/selection/nbsearch.cpp.o CMakeFiles/libgromacs.dir/selection/params.cpp.o CMakeFiles/libgromacs.dir/selection/parsetree.cpp.o CMakeFiles/libgromacs.dir/selection/poscalc.cpp.o CMakeFiles/libgromacs.dir/selection/position.cpp.o CMakeFiles/libgromacs.dir/selection/scanner_internal.cpp.o CMakeFiles/libgromacs.dir/selection/selection.cpp.o CMakeFiles/libgromacs.dir/selection/selectioncollection.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoption.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionbehavior.cpp.o CMakeFiles/libgromacs.dir/selection/selectionoptionmanager.cpp.o CMakeFiles/libgromacs.dir/selection/selelem.cpp.o CMakeFiles/libgromacs.dir/selection/selhelp.cpp.o CMakeFiles/libgromacs.dir/selection/selmethod.cpp.o CMakeFiles/libgromacs.dir/selection/selvalue.cpp.o CMakeFiles/libgromacs.dir/selection/sm_compare.cpp.o CMakeFiles/libgromacs.dir/selection/sm_distance.cpp.o CMakeFiles/libgromacs.dir/selection/sm_insolidangle.cpp.o CMakeFiles/libgromacs.dir/selection/sm_keywords.cpp.o CMakeFiles/libgromacs.dir/selection/sm_merge.cpp.o CMakeFiles/libgromacs.dir/selection/sm_permute.cpp.o CMakeFiles/libgromacs.dir/selection/sm_position.cpp.o CMakeFiles/libgromacs.dir/selection/sm_same.cpp.o CMakeFiles/libgromacs.dir/selection/sm_simple.cpp.o CMakeFiles/libgromacs.dir/selection/symrec.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/eigensolver.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/gmx_arpack.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/matrix.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/nrjac.cpp.o linearalgebra/CMakeFiles/linearalgebra.dir/sparsematrix.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/checkpointhelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/compositesimulatorelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/computeglobalselement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/constraintelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/domdechelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/energyelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/forceelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/freeenergyperturbationelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/modularsimulator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/parrinellorahmanbarostat.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/pmeloadbalancehelper.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/propagator.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/shellfcelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/signallers.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/statepropagatordata.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/topologyholder.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/trajectoryelement.cpp.o modularsimulator/CMakeFiles/modularsimulator.dir/vrescalethermostat.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/errhandler.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_malloc.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/atomic.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/lock.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/pthreads.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/system_error.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/alltoall.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_protocol.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/barrier.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_send_recv.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/bcast.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/p2p_wait.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/collective.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/profile.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/comm.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/reduce.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/event.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/reduce_fast.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/gather.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scatter.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/group.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/tmpi_init.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/topology.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/list.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/type.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/scan.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/numa_malloc.cpp.o CMakeFiles/thread_mpi.dir/__/external/thread_mpi/src/once.cpp.o fileio/CMakeFiles/vmddlopen.dir/__/__/external/vmd_molfile/vmddlopen.cpp.o selection/CMakeFiles/scanner.dir/parser.cpp.o selection/CMakeFiles/scanner.dir/scanner.cpp.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwlzh.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/bwt.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/coder.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/dict.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/fixpoint.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffman.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/huffmem.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/lz77.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/merge_sort.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/mtf.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/rle.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/tng_compress.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/vals16.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/warnmalloc.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/widemuldiv.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc2.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/compression/xtc3.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/tng_io.c.o CMakeFiles/tng_io_obj.dir/__/external/tng_io/src/lib/md5.c.o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/adler32.c.o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/compress.c.o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/crc32.c.o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/deflate.c.o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inffast.c.o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inflate.c.o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/inftrees.c.o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/trees.c.o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/uncompr.c.o CMakeFiles/tng_io_zlib.dir/__/external/tng_io/external/zlib/zutil.c.o CMakeFiles/lmfit_objlib.dir/__/external/lmfit/lmmin.cpp.o -Wl,-rpath,"\$ORIGIN/../lib" /usr/lib/x86_64-linux-gnu/libhwloc.so -ldl -lrt /usr/lib/x86_64-linux-gnu/libfftw3f.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so -lpthread -lm /usr/lib/x86_64-linux-gnu/liblapack.so -lpthread -lm cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libgromacs.so.5.0.0 ../../lib/libgromacs.so.5 ../../lib/libgromacs.so make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 98%] Built target libgromacs /usr/bin/make -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/gmx.dir/DependInfo.cmake --color= Scanning dependencies of target gmx make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/gmx.dir/gmx.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/gmx.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs && /usr/bin/c++ -DGMX_DOUBLE=0 -DHAVE_CONFIG_H -I/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src -I/build/gromacs-lj8Hdg/gromacs-2020.6/src -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -Wno-unknown-pragmas -fno-inline -std=c++14 -o CMakeFiles/gmx.dir/legacymodules.cpp.o -c /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs/legacymodules.cpp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs && /usr/bin/cmake -E cmake_link_script CMakeFiles/gmx.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/gromacs-lj8Hdg/gromacs-2020.6=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -g -Wl,-z,relro -Wl,-z,now CMakeFiles/gmx.dir/gmx.cpp.o CMakeFiles/gmx.dir/legacymodules.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/mdrun.cpp.o CMakeFiles/mdrun_objlib.dir/mdrun/nonbonded_bench.cpp.o CMakeFiles/view_objlib.dir/view/view.cpp.o -o ../../bin/gmx -Wl,-rpath,"\$ORIGIN/../lib" ../../lib/libgromacs.so.5.0.0 -lm make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [100%] Built target gmx make[3]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/CMakeFiles 0 make[2]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[1]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' # Generate PDF /usr/bin/make -j4 manual -C build/documentation make[1]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/make -f CMakeFiles/Makefile2 manual make[2]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/cmake -S/build/gromacs-lj8Hdg/gromacs-2020.6 -B/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/CMakeFiles 74 /usr/bin/make -f CMakeFiles/Makefile2 docs/manual/CMakeFiles/manual.dir/all make[3]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/depend /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/depend /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/depend /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/mdrun_objlib.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/selection /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/selection/CMakeFiles/scanner.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/CMakeFiles/release-version-info.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/tng_io_obj.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/programs/CMakeFiles/mdrun_objlib.dir/build.make src/programs/CMakeFiles/mdrun_objlib.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Nothing to be done for 'src/programs/CMakeFiles/mdrun_objlib.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/selection/CMakeFiles/scanner.dir/build.make src/gromacs/selection/CMakeFiles/scanner.dir/build make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_obj.dir/build.make src/gromacs/CMakeFiles/tng_io_obj.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Nothing to be done for 'src/gromacs/selection/CMakeFiles/scanner.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f CMakeFiles/release-version-info.dir/build.make CMakeFiles/release-version-info.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6 && /usr/bin/cmake -D PYTHON_EXECUTABLE=/usr/bin/python3 -D PROJECT_VERSION=2020.6-Debian-2020.6-2 -D PROJECT_SOURCE_DIR=/build/gromacs-lj8Hdg/gromacs-2020.6 -D DIRECTORIES_TO_CHECKSUM=src:python_packaging -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/VersionInfo-partial.cmake.cmakein -D VERSION_OUT=/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/VersionInfo.cmake -D VERSION_STRING_OF_FORK=Debian-2020.6-2 -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxGenerateVersionInfoRelease.cmake make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/tng_io_obj.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 0%] Built target mdrun_objlib /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_zlib.dir/build.make src/gromacs/CMakeFiles/tng_io_zlib.dir/depend [ 1%] Built target scanner /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/lmfit_objlib.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/tng_io_zlib.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/CMakeFiles/lmfit_objlib.dir/build.make src/gromacs/CMakeFiles/lmfit_objlib.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 2%] Built target tng_io_obj /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/depend make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/lmfit_objlib.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/thread_mpi.dir/DependInfo.cmake --color= [ 2%] Built target release-version-info /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/depend make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 2%] Built target lmfit_objlib /usr/bin/make -f src/gromacs/CMakeFiles/tng_io_zlib.dir/build.make src/gromacs/CMakeFiles/tng_io_zlib.dir/build /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/tng_io_zlib.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/CMakeFiles/thread_mpi.dir/build.make src/gromacs/CMakeFiles/thread_mpi.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/DependInfo.cmake --color= make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/thread_mpi.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 4%] Built target tng_io_zlib /usr/bin/make -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/depend make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build.make src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Nothing to be done for 'src/gromacs/linearalgebra/CMakeFiles/linearalgebra.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs/fileio /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/fileio /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/fileio/CMakeFiles/vmddlopen.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build.make src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build [ 6%] Built target thread_mpi make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Nothing to be done for 'src/gromacs/modularsimulator/CMakeFiles/modularsimulator.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/depend [ 6%] Built target linearalgebra /usr/bin/make -f docs/CMakeFiles/sphinx-input-rst.dir/build.make docs/CMakeFiles/sphinx-input-rst.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/view_objlib.dir/DependInfo.cmake --color= make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build.make src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Nothing to be done for 'src/gromacs/fileio/CMakeFiles/vmddlopen.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [ 8%] Built target modularsimulator make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/docs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/CMakeFiles/sphinx-input-rst.dir/DependInfo.cmake --color= /usr/bin/make -f docs/CMakeFiles/sphinx-image-conversion.dir/build.make docs/CMakeFiles/sphinx-image-conversion.dir/depend [ 8%] Built target vmddlopen make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/docs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/CMakeFiles/sphinx-image-conversion.dir/DependInfo.cmake --color= /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/depend make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/programs/CMakeFiles/view_objlib.dir/build.make src/programs/CMakeFiles/view_objlib.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Nothing to be done for 'src/programs/CMakeFiles/view_objlib.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' Scanning dependencies of target sphinx-input-rst make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f docs/CMakeFiles/sphinx-input-rst.dir/build.make docs/CMakeFiles/sphinx-input-rst.dir/build Scanning dependencies of target sphinx-image-conversion make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f docs/CMakeFiles/sphinx-image-conversion.dir/build.make docs/CMakeFiles/sphinx-image-conversion.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/sgangle.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/sgangle.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/sgangle.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/sgangle.pdf [ 8%] Built target view_objlib cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/decomp.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/plots/decomp.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -D VERSION_VARIABLES=/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/VersionInfo.cmake -D VERSION_CMAKEIN=/build/gromacs-lj8Hdg/gromacs-2020.6/docs/conf-vars.py.cmakein -D VERSION_OUT=/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/conf-vars.py -D SPHINX_EXTENSION_PATH=/build/gromacs-lj8Hdg/gromacs-2020.6/docs -D RELENG_PATH= -D IMAGE_CONVERT_STRING=possible -D EXPECTED_DOXYGEN_VERSION=1.8.5 -D EXPECTED_SPHINX_VERSION=1.6.1 -D CMAKE_MINIMUM_REQUIRED_VERSION=3.9.6 -D REQUIRED_CUDA_VERSION=9.0 -D REQUIRED_OPENCL_MIN_VERSION=1.2 -D REQUIRED_CUDA_COMPUTE_CAPABILITY=3.0 -D REGRESSIONTEST_VERSION=2020.6-Debian-2020.6-2 -D SOURCE_MD5SUM=unknown -D REGRESSIONTEST_MD5SUM_STRING=unknown -D GMX_TNG_MINIMUM_REQUIRED_VERSION=1.7.10 -D GMX_LMFIT_REQUIRED_VERSION=7.0 -D "GMX_MANUAL_DOI_STRING=This is not a release build of GROMACS, so please reference one of the GROMACS papers and the base release of the manual." -D "GMX_SOURCE_DOI_STRING=This is not a release build of GROMACS. Please reference one of the GROMACS papers, as well as the base release that this version is built from. Also, please state what modifcations have been performed or where the version was sourced from." -D GMXAPI_PYTHON_STAGING_DIR= -P /build/gromacs-lj8Hdg/gromacs-2020.6/cmake/gmxConfigureVersionInfo.cmake cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E touch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/conf-vars.py cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/index.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/index.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/download.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/download.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/conf.py /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/conf.py cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/links.dat /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/links.dat cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/build-system.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/build-system.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/change-management.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/change-management.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/commitstyle.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/commitstyle.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/documentation-generation.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/documentation-generation.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/dih.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/plots/dih.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/contribute.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/contribute.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/drift-all.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/plots/drift-all.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/doxygen.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/doxygen.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/error-handling.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/error-handling.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/formatting.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/formatting.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/gmxtree.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/gmxtree.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/includestyle.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/includestyle.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/index.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/index.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/jenkins.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/jenkins.rst make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/gromacs/CMakeFiles/libgromacs.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/known-issues.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/known-issues.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/f-angle.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/plots/f-angle.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/language-features.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/language-features.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/naming.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/naming.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/f-bond.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/plots/f-bond.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/overview.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/overview.rst make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/gromacs/CMakeFiles/libgromacs.dir/build.make src/gromacs/CMakeFiles/libgromacs.dir/build cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/physical_validation.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/physical_validation.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/redmine-states.png /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/redmine-states.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/relocatable-binaries.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/relocatable-binaries.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/reportstyle.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/reportstyle.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/style.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/style.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/testutils.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/testutils.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/tools.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/tools.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/code-formatting.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/code-formatting.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/fragments/doxygen-links.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/fragments/doxygen-links.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/fp-highres.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/plots/fp-highres.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/how-to/index.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/how-to/index.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/how-to/beginners.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/how-to/beginners.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/int-mat.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/plots/int-mat.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/how-to/topology.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/how-to/topology.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/how-to/special.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/how-to/special.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/how-to/visualize.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/how-to/visualize.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/install-guide/index.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/install-guide/index.rst make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Nothing to be done for 'src/gromacs/CMakeFiles/libgromacs.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/index.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/index.rst [ 70%] Built target libgromacs cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/2020.1.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/2020.1.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/2020.2.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/2020.2.rst /usr/bin/make -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/src/programs/CMakeFiles/gmx.dir/DependInfo.cmake --color= cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/2020.3.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/2020.3.rst make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f src/programs/CMakeFiles/gmx.dir/build.make src/programs/CMakeFiles/gmx.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Nothing to be done for 'src/programs/CMakeFiles/gmx.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/2020.4.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/2020.4.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/mdpar.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/plots/mdpar.png [ 71%] Built target gmx cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/2020.5.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/2020.5.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/2020.6.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/2020.6.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/parsort.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/plots/parsort.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/ring.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/plots/ring.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/major/highlights.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/highlights.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/major/features.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/features.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/major/performance.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/performance.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/major/tools.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/tools.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/major/bugs-fixed.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/bugs-fixed.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/major/removed-functionality.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/removed-functionality.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/major/deprecated-functionality.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/deprecated-functionality.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/major/portability.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/portability.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2020/major/miscellaneous.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2020/major/miscellaneous.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/2019.6.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/2019.6.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/shiftf.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/plots/shiftf.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/dd-cells.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/dd-cells.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/2019.5.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/2019.5.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/2019.4.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/2019.4.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/2019.3.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/2019.3.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/2019.2.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/2019.2.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/dd-tric.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/dd-tric.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/2019.1.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/2019.1.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/major/highlights.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/highlights.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/major/features.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/features.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/major/performance.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/performance.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/major/tools.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/tools.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/major/bugs-fixed.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/bugs-fixed.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/major/removed-functionality.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/removed-functionality.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/major/deprecated-functionality.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/deprecated-functionality.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/major/portability.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/portability.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/flowchart.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/flowchart.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2019/major/miscellaneous.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2019/major/miscellaneous.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/2018.7.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/2018.7.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/2018.6.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/2018.6.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/2018.5.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/2018.5.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/free1.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/free1.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/2018.4.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/2018.4.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/2018.3.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/2018.3.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/2018.2.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/2018.2.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/2018.1.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/2018.1.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/major/highlights.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/major/highlights.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/major/features.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/major/features.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/free2.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/free2.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/major/performance.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/major/performance.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/major/tools.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/major/tools.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/leapfrog.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/leapfrog.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/major/bugs-fixed.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/major/bugs-fixed.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/major/removed-features.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/major/removed-features.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/major/portability.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/major/portability.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2018/major/miscellaneous.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2018/major/miscellaneous.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2016/2016.5.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2016/2016.5.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/lincs.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/lincs.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2016/2016.4.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2016/2016.4.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2016/2016.3.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2016/2016.3.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2016/2016.2.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2016/2016.2.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2016/2016.1.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2016/2016.1.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2016/major/highlights.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2016/major/highlights.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/maxwell.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/maxwell.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2016/major/new-features.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2016/major/new-features.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2016/major/performance.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2016/major/performance.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2016/major/tools.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2016/major/tools.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2016/major/bugs-fixed.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2016/major/bugs-fixed.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2016/major/removed-features.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2016/major/removed-features.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/2016/major/miscellaneous.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/2016/major/miscellaneous.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/release-notes/older/index.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/release-notes/older/index.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/cmdline.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/cmdline.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/deprecation-policy.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/deprecation-policy.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/mpmd-pme.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/mpmd-pme.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/environment-variables.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/environment-variables.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/faq.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/faq.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/floating-point.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/floating-point.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/flow.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/flow.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/force-fields.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/force-fields.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/nstric.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/nstric.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/getting-started.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/getting-started.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/index.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/index.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/par-lincs2.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/par-lincs2.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/managing-simulations.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/managing-simulations.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/mdp-options.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/mdp-options.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/mdrun-features.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/mdrun-features.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/mdrun-performance.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/mdrun-performance.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/run-time-errors.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/run-time-errors.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/security.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/security.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/pbctric.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/pbctric.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/system-preparation.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/system-preparation.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/user-guide/terminology.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/user-guide/terminology.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/dev-manual/releng/index.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/dev-manual/releng/index.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/gmxapi/index.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/gmxapi/index.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/gmxapi/userguide/install.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/gmxapi/userguide/install.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/gmxapi/userguide/usage.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/gmxapi/userguide/usage.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/rhododec.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/rhododec.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/gmxapi/userguide/userguide.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/gmxapi/userguide/userguide.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/gmxapi/userguide-stub/pythonreference.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/gmxapi/userguide//pythonreference.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/truncoct.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/truncoct.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/index.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/index.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/preface.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/preface.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/introduction.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/introduction.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/definitions.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/definitions.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/topologies.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/topologies.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/topologies/particle-type.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/topologies/particle-type.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/topologies/parameter-files.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/topologies/parameter-files.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/topologies/molecule-definition.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/topologies/molecule-definition.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/topologies/constraint-algorithm-section.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/topologies/constraint-algorithm-section.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/topologies/pdb2gmx-input-files.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/topologies/pdb2gmx-input-files.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/verlet-drift.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/algorithms/plots/verlet-drift.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/topologies/topology-file-formats.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/topologies/topology-file-formats.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/topologies/force-field-organization.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/topologies/force-field-organization.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/file-formats.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/file-formats.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/run-parameters.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/run-parameters.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/details.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/details.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/angle.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/angle.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/averages.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/averages.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/references.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/references.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/peregrine.png /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/peregrine.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/adress.png /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/adress.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/plotje.png /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/plotje.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/xvgr.png /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/xvgr.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/bstretch.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/bstretch.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/periodic-boundary-conditions.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/periodic-boundary-conditions.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/chain.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/chain.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/group-concept.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/group-concept.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/molecular-dynamics.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/molecular-dynamics.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/shell-molecular-dynamics.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/shell-molecular-dynamics.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/constraint-algorithms.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/constraint-algorithms.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/simulated-annealing.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/simulated-annealing.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/stochastic-dynamics.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/stochastic-dynamics.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/dummies.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/dummies.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-bham.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-bham.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/brownian-dynamics.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/brownian-dynamics.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/energy-minimization.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/energy-minimization.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/normal-mode-analysis.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/normal-mode-analysis.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/free-energy-calculations.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/free-energy-calculations.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/replica-exchange.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/replica-exchange.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/essential-dynamics.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/essential-dynamics.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/expanded-ensemble.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/expanded-ensemble.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/parallelization-domain-decomp.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/parallelization-domain-decomp.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/bonded-interactions.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/bonded-interactions.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/force-field.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/force-field.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/fbposres.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/fbposres.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/free-energy-interactions.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/free-energy-interactions.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/interaction-methods.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/interaction-methods.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/long-range-electrostatics.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/long-range-electrostatics.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-dih.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-dih.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/long-range-vdw.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/long-range-vdw.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/nonbonded-interactions.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/nonbonded-interactions.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/polarization.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/polarization.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/restraints.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/restraints.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/free-energy-implementation.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/free-energy-implementation.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/pulling.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/pulling.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/awh.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/awh.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/enforced-rotation.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/enforced-rotation.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-dr.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-dr.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/electric-fields.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/electric-fields.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/comp-electrophys.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/comp-electrophys.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/free-energy-pmf.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/free-energy-pmf.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/remove-fast-dgf.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/remove-fast-dgf.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/fig-02.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/fig-02.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/viscosity-calculation.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/viscosity-calculation.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/tabulated-interaction-functions.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/tabulated-interaction-functions.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/fig-04.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/fig-04.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/qmmm.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/qmmm.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/vmd-imd.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/vmd-imd.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/membrane-embedding.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/membrane-embedding.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/mimic-qmmm.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/mimic-qmmm.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/density-guided-simulation.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/density-guided-simulation.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/using-groups.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/using-groups.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/looking-at-trajectory.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/looking-at-trajectory.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/general-properties.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/general-properties.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-imps.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-imps.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/radial-distribution-function.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/radial-distribution-function.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/correlation-function.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/correlation-function.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/curve-fitting.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/curve-fitting.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/mean-square-displacement.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/mean-square-displacement.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/bond-angle-dihedral.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/bond-angle-dihedral.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/radius-of-gyration.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/radius-of-gyration.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/rmsd.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/rmsd.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/covariance-analysis.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/covariance-analysis.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/dihedral-pca.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/dihedral-pca.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/hydrogen-bonds.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/hydrogen-bonds.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/protein-related.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/protein-related.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/interface-related.rst /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/interface-related.rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/decomp.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/decomp.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-lj.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-lj.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-morse.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-morse.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/dih.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/dih.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/drift-all.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/drift-all.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/f-angle.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/f-angle.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/f-bond.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/f-bond.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/fp-highres.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/fp-highres.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/int-mat.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/int-mat.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/mdpar.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/mdpar.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/parsort.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/parsort.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/ring.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/ring.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/plots/shiftf.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/plots/shiftf.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/dd-cells.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/dd-cells.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/dd-tric.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/dd-tric.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-pr.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-pr.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/flowchart.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/flowchart.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/free1.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/free1.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/free2.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/free2.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/leapfrog.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/leapfrog.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-rbs.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/f-rbs.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/lincs.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/lincs.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/maxwell.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/maxwell.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/mpmd-pme.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/mpmd-pme.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/nstric.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/nstric.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/par-lincs2.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/par-lincs2.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/pbctric.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/pbctric.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/rhododec.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/rhododec.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/truncoct.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/truncoct.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/algorithms/plots/verlet-drift.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/plots/verlet-drift.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/angle.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/angle.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/bstretch.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/bstretch.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/chain.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/chain.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/dummies.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/dummies.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-bham.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-bham.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/fbposres.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/fbposres.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-dih.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-dih.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-dr.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-dr.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/ring-imp.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/ring-imp.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/fig-02.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/fig-02.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/fig-04.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/fig-04.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-imps.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-imps.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-lj.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-lj.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-morse.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-morse.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-pr.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-pr.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/softcore.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/softcore.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/f-rbs.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/f-rbs.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/ring-imp.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/ring-imp.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/subst-im.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/subst-im.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/softcore.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/softcore.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/subst-im.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/subst-im.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/tetra-im.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/tetra-im.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/vcrf.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/vcrf.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/vsite-4fdn.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/functions/plots/vsite-4fdn.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/awh-invN.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/awh-invN.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/awh-pmfs.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/awh-pmfs.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/awh-sampleweights.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/awh-sampleweights.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/tetra-im.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/tetra-im.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/awh-traj.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/awh-traj.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/compelsetup.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/compelsetup.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/vcrf.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/vcrf.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/dumaro.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/dumaro.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/dumtypes.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/dumtypes.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/equipotential.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/equipotential.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/field.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/field.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/functions/plots/vsite-4fdn.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/functions/plots/vsite-4fdn.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/gaussians.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/gaussians.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/pulldirrel.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/pulldirrel.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/pull.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/pull.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/awh-invN.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/awh-invN.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/pullref.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/pullref.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/rotation.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/special/plots/rotation.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/dih-def.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/dih-def.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/awh-pmfs.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/awh-pmfs.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/distm.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/distm.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/dssp.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/dssp.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/hbond-insert.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/hbond-insert.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/awh-sampleweights.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/awh-sampleweights.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/hbond.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/hbond.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/hpr-wheel.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/hpr-wheel.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/msdwater.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/msdwater.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/ngmxdump.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/ngmxdump.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/phipsi.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/phipsi.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/rama.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/rama.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/rdfO-O.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/rdfO-O.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/awh-traj.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/awh-traj.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E copy /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/rdf.pdf /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/analysis/plots/rdf.pdf cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E touch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input-rst-timestamp.txt make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/compelsetup.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/compelsetup.png [ 93%] Built target sphinx-input-rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/dumaro.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/dumaro.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/dumtypes.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/dumtypes.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/equipotential.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/equipotential.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/field.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/field.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/gaussians.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/gaussians.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/pulldirrel.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/pulldirrel.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/pull.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/pull.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/pullref.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/pullref.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/special/plots/rotation.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/special/plots/rotation.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/dih-def.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/dih-def.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/distm.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/distm.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/dssp.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/dssp.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/hbond-insert.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/hbond-insert.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/hbond.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/hbond.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/hpr-wheel.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/hpr-wheel.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/msdwater.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/msdwater.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/ngmxdump.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/ngmxdump.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/phipsi.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/phipsi.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/rama.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/rama.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/rdfO-O.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/rdfO-O.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/convert /build/gromacs-lj8Hdg/gromacs-2020.6/docs/reference-manual/analysis/plots/rdf.pdf -antialias -quality 03 -quiet -pointsize 12 -density 1200 -units PixelsPerInch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input//reference-manual/analysis/plots/rdf.png cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs && /usr/bin/cmake -E touch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-image-conversion-timestamp.txt make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [100%] Built target sphinx-image-conversion /usr/bin/make -f docs/CMakeFiles/sphinx-input.dir/build.make docs/CMakeFiles/sphinx-input.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/docs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/CMakeFiles/sphinx-input.dir/DependInfo.cmake --color= Scanning dependencies of target sphinx-input make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f docs/CMakeFiles/sphinx-input.dir/build.make docs/CMakeFiles/sphinx-input.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' make[4]: Nothing to be done for 'docs/CMakeFiles/sphinx-input.dir/build'. make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [100%] Built target sphinx-input /usr/bin/make -f docs/CMakeFiles/sphinx-programs.dir/build.make docs/CMakeFiles/sphinx-programs.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/docs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/CMakeFiles/sphinx-programs.dir/DependInfo.cmake --color= Scanning dependencies of target sphinx-programs make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f docs/CMakeFiles/sphinx-programs.dir/build.make docs/CMakeFiles/sphinx-programs.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input && /usr/bin/cmake -E make_directory onlinehelp cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input && /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/bin/gmx -quiet help -export rst cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input && /usr/bin/cmake -E touch /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-programs-timestamp.txt make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' [100%] Built target sphinx-programs /usr/bin/make -f docs/manual/CMakeFiles/pdf.dir/build.make docs/manual/CMakeFiles/pdf.dir/depend make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/gromacs-lj8Hdg/gromacs-2020.6 /build/gromacs-lj8Hdg/gromacs-2020.6/docs/manual /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/manual /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/manual/CMakeFiles/pdf.dir/DependInfo.cmake --color= Scanning dependencies of target pdf make[4]: Leaving directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' /usr/bin/make -f docs/manual/CMakeFiles/pdf.dir/build.make docs/manual/CMakeFiles/pdf.dir/build make[4]: Entering directory '/build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation' cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/manual && /usr/bin/sphinx-build -q -b latex -w sphinx-latex.log -d "" /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/manual WARNING: html_static_path entry '_static' does not exist /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/sphinx-input/reference-manual/algorithms/free-energy-calculations.rst:44: WARNING: Failed to create a cross reference. Any number is not assigned: fig-free2 cd /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/manual && /usr/bin/cmake -E chdir /build/gromacs-lj8Hdg/gromacs-2020.6/build/documentation/docs/manual /usr/bin/pdflatex -interaction=nonstopmode gromacs.tex This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020/Debian) (preloaded format=pdflatex) restricted \write18 enabled. entering extended mode (./gromacs.tex LaTeX2e <2020-10-01> patch level 4 L3 programming layer <2021-01-09> xparse <2020-03-03> (./sphinxmanual.cls Document Class: sphinxmanual 2019/12/01 v2.3.0 Document class (Sphinx manual) (/usr/share/texlive/texmf-dist/tex/latex/base/report.cls Document Class: report 2020/04/10 v1.4m Standard LaTeX document class (/usr/share/texlive/texmf-dist/tex/latex/base/size10.clo))) (/usr/share/texlive/texmf-dist/tex/latex/base/inputenc.sty) (/usr/share/texlive/texmf-dist/tex/latex/cmap/cmap.sty) (/usr/share/texlive/texmf-dist/tex/latex/base/fontenc.sty<>) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsmath.sty For additional information on amsmath, use the `?' option. (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amstext.sty (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsgen.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsbsy.sty) (/usr/share/texlive/texmf-dist/tex/latex/amsmath/amsopn.sty)) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amssymb.sty (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/amsfonts.sty)) (/usr/share/texlive/texmf-dist/tex/generic/babel/babel.sty (/usr/share/texlive/texmf-dist/tex/generic/babel/babel.def (/usr/share/texlive/texmf-dist/tex/generic/babel/txtbabel.def)) (/usr/share/texlive/texmf-dist/tex/generic/babel-english/english.ldf)) (/usr/share/texlive/texmf-dist/tex/latex/psnfss/times.sty) (/usr/share/texlive/texmf-dist/tex/latex/fncychap/fncychap.sty) (./sphinx.sty (/usr/share/texlive/texmf-dist/tex/generic/ltxcmds/ltxcmds.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphicx.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/keyval.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics/graphics.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/trig.sty) (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/graphics.cfg) (/usr/share/texlive/texmf-dist/tex/latex/graphics-def/pdftex.def))) (/usr/share/texlive/texmf-dist/tex/latex/fancyhdr/fancyhdr.sty) (/usr/share/texlive/texmf-dist/tex/latex/base/textcomp.sty) (/usr/share/texlive/texmf-dist/tex/latex/titlesec/titlesec.sty) (/usr/share/texlive/texmf-dist/tex/latex/tabulary/tabulary.sty (/usr/share/texlive/texmf-dist/tex/latex/tools/array.sty)) (/usr/share/texlive/texmf-dist/tex/latex/tools/longtable.sty) (/usr/share/texlive/texmf-dist/tex/latex/varwidth/varwidth.sty) (./sphinxmulticell.sty) (/usr/share/texlive/texmf-dist/tex/latex/base/makeidx.sty) (/usr/share/texlive/texmf-dist/tex/latex/framed/framed.sty) (/usr/share/texlive/texmf-dist/tex/latex/xcolor/xcolor.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics-cfg/color.cfg)) (/usr/share/texlive/texmf-dist/tex/latex/fancyvrb/fancyvrb.sty) (./footnotehyper-sphinx.sty) (/usr/share/texlive/texmf-dist/tex/latex/float/float.sty) (/usr/share/texlive/texmf-dist/tex/latex/wrapfig/wrapfig.sty) (/usr/share/texlive/texmf-dist/tex/latex/parskip/parskip.sty (/usr/share/texlive/texmf-dist/tex/latex/parskip/parskip-2001-04-09.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/alltt.sty) (/usr/share/texlive/texmf-dist/tex/latex/upquote/upquote.sty) (/usr/share/texlive/texmf-dist/tex/latex/capt-of/capt-of.sty) (/usr/share/texlive/texmf-dist/tex/latex/needspace/needspace.sty) (./sphinxhighlight.sty) (/usr/share/texlive/texmf-dist/tex/latex/kvoptions/kvoptions.sty (/usr/share/texlive/texmf-dist/tex/generic/kvsetkeys/kvsetkeys.sty))) (/usr/share/texlive/texmf-dist/tex/latex/geometry/geometry.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/ifvtex.sty (/usr/share/texlive/texmf-dist/tex/generic/iftex/iftex.sty))) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hyperref.sty (/usr/share/texlive/texmf-dist/tex/generic/pdftexcmds/pdftexcmds.sty (/usr/share/texlive/texmf-dist/tex/generic/infwarerr/infwarerr.sty)) (/usr/share/texlive/texmf-dist/tex/generic/kvdefinekeys/kvdefinekeys.sty) (/usr/share/texlive/texmf-dist/tex/generic/pdfescape/pdfescape.sty) (/usr/share/texlive/texmf-dist/tex/latex/hycolor/hycolor.sty) (/usr/share/texlive/texmf-dist/tex/latex/letltxmacro/letltxmacro.sty) (/usr/share/texlive/texmf-dist/tex/latex/auxhook/auxhook.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/pd1enc.def) (/usr/share/texlive/texmf-dist/tex/generic/intcalc/intcalc.sty) (/usr/share/texlive/texmf-dist/tex/generic/etexcmds/etexcmds.sty) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/puenc.def) (/usr/share/texlive/texmf-dist/tex/latex/url/url.sty) (/usr/share/texlive/texmf-dist/tex/generic/bitset/bitset.sty (/usr/share/texlive/texmf-dist/tex/generic/bigintcalc/bigintcalc.sty)) (/usr/share/texlive/texmf-dist/tex/latex/base/atbegshi-ltx.sty)) (/usr/share/texlive/texmf-dist/tex/latex/hyperref/hpdftex.def (/usr/share/texlive/texmf-dist/tex/latex/base/atveryend-ltx.sty) (/usr/share/texlive/texmf-dist/tex/latex/rerunfilecheck/rerunfilecheck.sty (/usr/share/texlive/texmf-dist/tex/generic/uniquecounter/uniquecounter.sty))) (/usr/share/texlive/texmf-dist/tex/latex/oberdiek/hypcap.sty) (./sphinxmessages.sty) (./here.sty) (./picins.sty Option `picins' Version 3.0 Sep. 1992, TH Darmstadt/HRZ) (./underscore.sty) (/usr/share/texlive/texmf-dist/tex/latex/tools/tabularx.sty) (/usr/share/texlive/texmf-dist/tex/latex/tools/multicol.sty) (/usr/share/texlive/texmf-dist/tex/latex/tools/dcolumn.sty) (/usr/share/texlive/texmf-dist/tex/latex/base/ifthen.sty) (/usr/share/texlive/texmf-dist/tex/latex/enumitem/enumitem.sty) (/usr/share/texlive/texmf-dist/tex/latex/pdflscape/pdflscape.sty (/usr/share/texlive/texmf-dist/tex/latex/graphics/lscape.sty)) Writing index file gromacs.idx (/usr/share/texlive/texmf-dist/tex/latex/psnfss/t1ptm.fd) (/usr/share/texlive/texmf-dist/tex/latex/l3backend/l3backend-pdftex.def) LaTeX Warning: Unused global option(s): [11]. No file gromacs.aux. (/usr/share/texlive/texmf-dist/tex/context/base/mkii/supp-pdf.mkii [Loading MPS to PDF converter (version 2006.09.02).] ) (/usr/share/texlive/texmf-dist/tex/latex/epstopdf-pkg/epstopdf-base.sty (/usr/share/texlive/texmf-dist/tex/latex/latexconfig/epstopdf-sys.cfg)) *geometry* driver: auto-detecting *geometry* detected driver: pdftex (/usr/share/texlive/texmf-dist/tex/latex/hyperref/nameref.sty (/usr/share/texlive/texmf-dist/tex/latex/refcount/refcount.sty) (/usr/share/texlive/texmf-dist/tex/generic/gettitlestring/gettitlestring.sty)) (/usr/share/texlive/texmf-dist/tex/latex/psnfss/t1pcr.fd) (/usr/share/texlive/texmf-dist/tex/latex/psnfss/t1phv.fd)<><><><> (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsa.fd) (/usr/share/texlive/texmf-dist/tex/latex/amsfonts/umsb.fd) [1{/var/lib/texmf/fo nts/map/pdftex/updmap/pdftex.map} <./peregrine.png>] [1] [1] Chapter 1. (/usr/share/texlive/texmf-dist/tex/latex/psnfss/ts1ptm.fd) [2] Chapter 2. [3] LaTeX Warning: Hyper reference `install-guide/index:building-only-mdrun' on pag e 4 undefined on input line 211. LaTeX Warning: Reference `install-guide/index:building-only-mdrun' on page 4 un defined on input line 211. LaTeX Warning: Hyper reference `install-guide/index:cmake-options' on page 4 un defined on input line 221. LaTeX Warning: Reference `install-guide/index:cmake-options' on page 4 undefine d on input line 221. LaTeX Warning: Hyper reference `install-guide/index:compiler' on page 4 undefin ed on input line 225. LaTeX Warning: Reference `install-guide/index:compiler' on page 4 undefined on input line 225. LaTeX Warning: Hyper reference `install-guide/index:compiler' on page 4 undefin ed on input line 228. LaTeX Warning: Reference `install-guide/index:compiler' on page 4 undefined on input line 228. LaTeX Warning: Hyper reference `install-guide/index:id1' on page 4 undefined on input line 231. LaTeX Warning: Reference `install-guide/index:id1' on page 4 undefined on input line 231. LaTeX Warning: Hyper reference `install-guide/index:building-only-mdrun' on pag e 4 undefined on input line 231. LaTeX Warning: Reference `install-guide/index:building-only-mdrun' on page 4 un defined on input line 231. LaTeX Warning: Hyper reference `install-guide/index:cuda-gpu-acceleration' on p age 4 undefined on input line 234. LaTeX Warning: Reference `install-guide/index:cuda-gpu-acceleration' on page 4 undefined on input line 234. LaTeX Warning: Hyper reference `install-guide/index:simd-support' on page 4 und efined on input line 240. LaTeX Warning: Reference `install-guide/index:simd-support' on page 4 undefined on input line 240. LaTeX Warning: Hyper reference `install-guide/index:building-only-mdrun' on pag e 4 undefined on input line 243. LaTeX Warning: Reference `install-guide/index:building-only-mdrun' on page 4 un defined on input line 243. LaTeX Warning: Hyper reference `install-guide/index:search-for-libraries-header s-or-programs' on page 4 undefined on input line 249. LaTeX Warning: Reference `install-guide/index:search-for-libraries-headers-or-p rograms' on page 4 undefined on input line 249. LaTeX Warning: Hyper reference `install-guide/index:non-standard-location' on p age 4 undefined on input line 252. LaTeX Warning: Reference `install-guide/index:non-standard-location' on page 4 undefined on input line 252. LaTeX Warning: Hyper reference `install-guide/index:static-linking' on page 4 u ndefined on input line 255. LaTeX Warning: Reference `install-guide/index:static-linking' on page 4 undefin ed on input line 255. LaTeX Warning: Hyper reference `install-guide/index:fft-support' on page 4 unde fined on input line 258. LaTeX Warning: Reference `install-guide/index:fft-support' on page 4 undefined on input line 258. [4] Underfull \hbox (badness 10000) in paragraph at lines 337--339 []\T1/ptm/m/n/10 To build with clang and llvm's libcxx stan-dard li-brary, use \T1/pcr/m/n/10 -DCMAKE_-CXX_- [5] [6] LaTeX Warning: Hyper reference `install-guide/index:linear-algebra-libraries' o n page 7 undefined on input line 458. LaTeX Warning: Reference `install-guide/index:linear-algebra-libraries' on page 7 undefined on input line 458. [7] LaTeX Warning: Hyper reference `install-guide/index:linear-algebra-libraries' o n page 8 undefined on input line 553. LaTeX Warning: Reference `install-guide/index:linear-algebra-libraries' on page 8 undefined on input line 553. [8] LaTeX Warning: Hyper reference `install-guide/index:cmake' on page 9 undefined on input line 600. LaTeX Warning: Reference `install-guide/index:cmake' on page 9 undefined on inp ut line 600. [9] [10] [11] [12] [13] LaTeX Warning: Hyper reference `install-guide/index:building-just-the-mdrun-bin ary' on page 14 undefined on input line 1067. LaTeX Warning: Reference `install-guide/index:building-just-the-mdrun-binary' o n page 14 undefined on input line 1067. [14] [15] LaTeX Warning: Hyper reference `install-guide/index:suffixes' on page 16 undefi ned on input line 1258. LaTeX Warning: Reference `install-guide/index:suffixes' on page 16 undefined on input line 1258. Underfull \hbox (badness 7433) in paragraph at lines 1254--1259 []\T1/ptm/m/n/10 GROMACS also in-stalls a CMake toolchains file to help with bu ild-ing client soft- [16] [17] [18] LaTeX Warning: Hyper reference `install-guide/index:using-fftw' on page 19 unde fined on input line 1445. LaTeX Warning: Reference `install-guide/index:using-fftw' on page 19 undefined on input line 1445. LaTeX Warning: Hyper reference `install-guide/index:using-mkl' on page 19 undef ined on input line 1448. LaTeX Warning: Reference `install-guide/index:using-mkl' on page 19 undefined o n input line 1448. [19] [20] Chapter 3. LaTeX Warning: Hyper reference `install-guide/index::doc' on page 21 undefined on input line 1571. LaTeX Warning: Reference `install-guide/index::doc' on page 21 undefined on inp ut line 1571. LaTeX Warning: Hyper reference `reference-manual/index:gmx-reference-manual-rst ' on page 21 undefined on input line 1573. LaTeX Warning: Reference `reference-manual/index:gmx-reference-manual-rst' on p age 21 undefined on input line 1573. LaTeX Warning: Hyper reference `user-guide/getting-started::doc' on page 21 und efined on input line 1587. LaTeX Warning: Reference `user-guide/getting-started::doc' on page 21 undefined on input line 1587. LaTeX Warning: Hyper reference `onlinehelp/gmx-grompp:gmx-grompp' on page 21 un defined on input line 1589. LaTeX Warning: Reference `onlinehelp/gmx-grompp:gmx-grompp' on page 21 undefine d on input line 1589. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 21 unde fined on input line 1589. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 21 undefined on input line 1589. [21] [22 <./graphviz-936e3f1858dfd4f4b9d401a8e14743dd30c22b6e.pdf>] LaTeX Warning: Hyper reference `install-guide/index:getting-access-to-gromacs' on page 23 undefined on input line 1625. LaTeX Warning: Reference `install-guide/index:getting-access-to-gromacs' on pag e 23 undefined on input line 1625. LaTeX Warning: Hyper reference `user-guide/flow::doc' on page 23 undefined on i nput line 1630. LaTeX Warning: Reference `user-guide/flow::doc' on page 23 undefined on input l ine 1630. LaTeX Warning: Hyper reference `onlinehelp/gmx-pdb2gmx:gmx-pdb2gmx' on page 23 undefined on input line 1641. LaTeX Warning: Reference `onlinehelp/gmx-pdb2gmx:gmx-pdb2gmx' on page 23 undefi ned on input line 1641. LaTeX Warning: Hyper reference `onlinehelp/gmx-pdb2gmx:gmx-pdb2gmx' on page 23 undefined on input line 1642. LaTeX Warning: Reference `onlinehelp/gmx-pdb2gmx:gmx-pdb2gmx' on page 23 undefi ned on input line 1642. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 23 u ndefined on input line 1642. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 23 undefin ed on input line 1642. LaTeX Warning: Hyper reference `reference-manual/file-formats:top' on page 23 u ndefined on input line 1650. LaTeX Warning: Reference `reference-manual/file-formats:top' on page 23 undefin ed on input line 1650. LaTeX Warning: Hyper reference `user-guide/mdp-options:mdp-include' on page 23 undefined on input line 1659. LaTeX Warning: Reference `user-guide/mdp-options:mdp-include' on page 23 undefi ned on input line 1659. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 23 u ndefined on input line 1659. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 23 undefin ed on input line 1659. LaTeX Warning: Hyper reference `reference-manual/file-formats:top' on page 23 u ndefined on input line 1678. LaTeX Warning: Reference `reference-manual/file-formats:top' on page 23 undefin ed on input line 1678. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 23 u ndefined on input line 1682. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 23 undefin ed on input line 1682. LaTeX Warning: Hyper reference `reference-manual/file-formats:top' on page 23 u ndefined on input line 1683. LaTeX Warning: Reference `reference-manual/file-formats:top' on page 23 undefin ed on input line 1683. [23] LaTeX Warning: Hyper reference `onlinehelp/gmx-pdb2gmx:gmx-pdb2gmx' on page 24 undefined on input line 1689. LaTeX Warning: Reference `onlinehelp/gmx-pdb2gmx:gmx-pdb2gmx' on page 24 undefi ned on input line 1689. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 24 u ndefined on input line 1690. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 24 undefin ed on input line 1690. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 24 u ndefined on input line 1691. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 24 undefin ed on input line 1691. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 24 u ndefined on input line 1691. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 24 undefin ed on input line 1691. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 24 u ndefined on input line 1692. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 24 undefin ed on input line 1692. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 24 u ndefined on input line 1694. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 24 undefin ed on input line 1694. LaTeX Warning: Hyper reference `onlinehelp/gmx-solvate:gmx-solvate' on page 24 undefined on input line 1695. LaTeX Warning: Reference `onlinehelp/gmx-solvate:gmx-solvate' on page 24 undefi ned on input line 1695. LaTeX Warning: Hyper reference `onlinehelp/gmx-editconf:gmx-editconf' on page 2 4 undefined on input line 1696. LaTeX Warning: Reference `onlinehelp/gmx-editconf:gmx-editconf' on page 24 unde fined on input line 1696. LaTeX Warning: Hyper reference `onlinehelp/gmx-solvate:gmx-solvate' on page 24 undefined on input line 1697. LaTeX Warning: Reference `onlinehelp/gmx-solvate:gmx-solvate' on page 24 undefi ned on input line 1697. LaTeX Warning: Hyper reference `onlinehelp/gmx-solvate:gmx-solvate' on page 24 undefined on input line 1699. LaTeX Warning: Reference `onlinehelp/gmx-solvate:gmx-solvate' on page 24 undefi ned on input line 1699. LaTeX Warning: Hyper reference `onlinehelp/gmx-solvate:gmx-solvate' on page 24 undefined on input line 1700. LaTeX Warning: Reference `onlinehelp/gmx-solvate:gmx-solvate' on page 24 undefi ned on input line 1700. LaTeX Warning: Hyper reference `onlinehelp/gmx-pdb2gmx:gmx-pdb2gmx' on page 24 undefined on input line 1701. LaTeX Warning: Reference `onlinehelp/gmx-pdb2gmx:gmx-pdb2gmx' on page 24 undefi ned on input line 1701. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 24 u ndefined on input line 1707. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 24 undefin ed on input line 1707. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 24 u ndefined on input line 1710. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 24 undefin ed on input line 1710. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 24 u ndefined on input line 1710. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 24 undefin ed on input line 1710. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 24 u ndefined on input line 1724. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 24 undefin ed on input line 1724. LaTeX Warning: Hyper reference `reference-manual/file-formats:top' on page 24 u ndefined on input line 1725. LaTeX Warning: Reference `reference-manual/file-formats:top' on page 24 undefin ed on input line 1725. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 24 u ndefined on input line 1725. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 24 undefin ed on input line 1725. LaTeX Warning: Hyper reference `reference-manual/file-formats:ndx' on page 24 u ndefined on input line 1726. LaTeX Warning: Reference `reference-manual/file-formats:ndx' on page 24 undefin ed on input line 1726. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 24 u ndefined on input line 1726. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 24 undefin ed on input line 1726. LaTeX Warning: Hyper reference `onlinehelp/gmx-grompp:gmx-grompp' on page 24 un defined on input line 1728. LaTeX Warning: Reference `onlinehelp/gmx-grompp:gmx-grompp' on page 24 undefine d on input line 1728. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 24 u ndefined on input line 1729. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 24 undefin ed on input line 1729. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 24 unde fined on input line 1735. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 24 undefined on input line 1735. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 24 unde fined on input line 1736. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 24 undefined on input line 1736. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 24 u ndefined on input line 1738. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 24 undefin ed on input line 1738. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 24 unde fined on input line 1738. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 24 undefined on input line 1738. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 24 u ndefined on input line 1739. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 24 undefin ed on input line 1739. LaTeX Warning: Hyper reference `reference-manual/file-formats:log' on page 24 u ndefined on input line 1739. LaTeX Warning: Reference `reference-manual/file-formats:log' on page 24 undefin ed on input line 1739. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 24 u ndefined on input line 1740. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 24 undefin ed on input line 1740. [24] LaTeX Warning: Hyper reference `how-to/index::doc' on page 25 undefined on inpu t line 1746. LaTeX Warning: Reference `how-to/index::doc' on page 25 undefined on input line 1746. LaTeX Warning: Hyper reference `onlinehelp/gmx-solvate:gmx-solvate' on page 25 undefined on input line 1827. LaTeX Warning: Reference `onlinehelp/gmx-solvate:gmx-solvate' on page 25 undefi ned on input line 1827. LaTeX Warning: Hyper reference `onlinehelp/gmx-insert-molecules:gmx-insert-mole cules' on page 25 undefined on input line 1828. LaTeX Warning: Reference `onlinehelp/gmx-insert-molecules:gmx-insert-molecules' on page 25 undefined on input line 1828. LaTeX Warning: Hyper reference `onlinehelp/gmx-genconf:gmx-genconf' on page 25 undefined on input line 1828. LaTeX Warning: Reference `onlinehelp/gmx-genconf:gmx-genconf' on page 25 undefi ned on input line 1828. LaTeX Warning: Hyper reference `onlinehelp/gmx-pdb2gmx:gmx-pdb2gmx' on page 25 undefined on input line 1833. LaTeX Warning: Reference `onlinehelp/gmx-pdb2gmx:gmx-pdb2gmx' on page 25 undefi ned on input line 1833. LaTeX Warning: Hyper reference `onlinehelp/gmx-x2top:gmx-x2top' on page 25 unde fined on input line 1833. LaTeX Warning: Reference `onlinehelp/gmx-x2top:gmx-x2top' on page 25 undefined on input line 1833. [25] LaTeX Warning: Hyper reference `onlinehelp/gmx-editconf:gmx-editconf' on page 2 6 undefined on input line 1842. LaTeX Warning: Reference `onlinehelp/gmx-editconf:gmx-editconf' on page 26 unde fined on input line 1842. LaTeX Warning: Hyper reference `onlinehelp/gmx-solvate:gmx-solvate' on page 26 undefined on input line 1844. LaTeX Warning: Reference `onlinehelp/gmx-solvate:gmx-solvate' on page 26 undefi ned on input line 1844. LaTeX Warning: Hyper reference `onlinehelp/gmx-grompp:gmx-grompp' on page 26 un defined on input line 1845. LaTeX Warning: Reference `onlinehelp/gmx-grompp:gmx-grompp' on page 26 undefine d on input line 1845. LaTeX Warning: Hyper reference `onlinehelp/gmx-insert-molecules:gmx-insert-mole cules' on page 26 undefined on input line 1845. LaTeX Warning: Reference `onlinehelp/gmx-insert-molecules:gmx-insert-molecules' on page 26 undefined on input line 1845. LaTeX Warning: Hyper reference `onlinehelp/gmx-grompp:gmx-grompp' on page 26 un defined on input line 1851. LaTeX Warning: Reference `onlinehelp/gmx-grompp:gmx-grompp' on page 26 undefine d on input line 1851. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 26 unde fined on input line 1852. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 26 undefined on input line 1852. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 26 u ndefined on input line 1863. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 26 undefin ed on input line 1863. LaTeX Warning: Hyper reference `user-guide/terminology:blowing-up' on page 26 u ndefined on input line 1872. LaTeX Warning: Reference `user-guide/terminology:blowing-up' on page 26 undefin ed on input line 1872. LaTeX Warning: Hyper reference `onlinehelp/gmx-grompp:gmx-grompp' on page 26 un defined on input line 1880. LaTeX Warning: Reference `onlinehelp/gmx-grompp:gmx-grompp' on page 26 undefine d on input line 1880. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 26 unde fined on input line 1881. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 26 undefined on input line 1881. LaTeX Warning: Hyper reference `onlinehelp/gmx-energy:gmx-energy' on page 26 un defined on input line 1881. LaTeX Warning: Reference `onlinehelp/gmx-energy:gmx-energy' on page 26 undefine d on input line 1881. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 26 u ndefined on input line 1886. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 26 undefin ed on input line 1886. LaTeX Warning: Hyper reference `user-guide/cmdline::doc' on page 26 undefined o n input line 1901. LaTeX Warning: Reference `user-guide/cmdline::doc' on page 26 undefined on inpu t line 1901. [26] LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 unde fined on input line 1917. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 undefined on input line 1917. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 27 u ndefined on input line 1923. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 27 undefin ed on input line 1923. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 27 u ndefined on input line 1924. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 27 undefin ed on input line 1924. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 unde fined on input line 1928. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 undefined on input line 1928. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 unde fined on input line 1929. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 undefined on input line 1929. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 unde fined on input line 1929. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 undefined on input line 1929. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 unde fined on input line 1934. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 undefined on input line 1934. LaTeX Warning: Hyper reference `user-guide/mdp-options:mdp-nsteps' on page 27 u ndefined on input line 1937. LaTeX Warning: Reference `user-guide/mdp-options:mdp-nsteps' on page 27 undefin ed on input line 1937. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 unde fined on input line 1946. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 undefined on input line 1946. LaTeX Warning: Hyper reference `onlinehelp/gmx-check:gmx-check' on page 27 unde fined on input line 1967. LaTeX Warning: Reference `onlinehelp/gmx-check:gmx-check' on page 27 undefined on input line 1967. LaTeX Warning: Hyper reference `onlinehelp/gmx-dump:gmx-dump' on page 27 undefi ned on input line 1968. LaTeX Warning: Reference `onlinehelp/gmx-dump:gmx-dump' on page 27 undefined on input line 1968. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 unde fined on input line 1973. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 27 undefined on input line 1973. LaTeX Warning: Hyper reference `user-guide/mdp-options:mdp-simulation-part' on page 27 undefined on input line 1987. LaTeX Warning: Reference `user-guide/mdp-options:mdp-simulation-part' on page 2 7 undefined on input line 1987. LaTeX Warning: Hyper reference `onlinehelp/gmx-grompp:gmx-grompp' on page 27 un defined on input line 1988. LaTeX Warning: Reference `onlinehelp/gmx-grompp:gmx-grompp' on page 27 undefine d on input line 1988. [27] LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 28 unde fined on input line 2004. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 28 undefined on input line 2004. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 28 u ndefined on input line 2016. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 28 undefin ed on input line 2016. LaTeX Warning: Hyper reference `onlinehelp/gmx-convert-tpr:gmx-convert-tpr' on page 28 undefined on input line 2017. LaTeX Warning: Reference `onlinehelp/gmx-convert-tpr:gmx-convert-tpr' on page 2 8 undefined on input line 2017. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 28 u ndefined on input line 2025. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 28 undefin ed on input line 2025. LaTeX Warning: Hyper reference `onlinehelp/gmx-grompp:gmx-grompp' on page 28 un defined on input line 2026. LaTeX Warning: Reference `onlinehelp/gmx-grompp:gmx-grompp' on page 28 undefine d on input line 2026. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 28 u ndefined on input line 2033. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 28 undefin ed on input line 2033. LaTeX Warning: Hyper reference `onlinehelp/gmx-grompp:gmx-grompp' on page 28 un defined on input line 2041. LaTeX Warning: Reference `onlinehelp/gmx-grompp:gmx-grompp' on page 28 undefine d on input line 2041. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 28 u ndefined on input line 2042. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 28 undefin ed on input line 2042. LaTeX Warning: Hyper reference `user-guide/mdp-options:mdp-tinit' on page 28 un defined on input line 2043. LaTeX Warning: Reference `user-guide/mdp-options:mdp-tinit' on page 28 undefine d on input line 2043. LaTeX Warning: Hyper reference `user-guide/mdp-options:mdp-init-step' on page 2 8 undefined on input line 2043. LaTeX Warning: Reference `user-guide/mdp-options:mdp-init-step' on page 28 unde fined on input line 2043. LaTeX Warning: Hyper reference `user-guide/mdp-options:mdp-nsteps' on page 28 u ndefined on input line 2044. LaTeX Warning: Reference `user-guide/mdp-options:mdp-nsteps' on page 28 undefin ed on input line 2044. LaTeX Warning: Hyper reference `user-guide/mdp-options:mdp-simulation-part' on page 28 undefined on input line 2044. LaTeX Warning: Reference `user-guide/mdp-options:mdp-simulation-part' on page 2 8 undefined on input line 2044. LaTeX Warning: Hyper reference `user-guide/mdp-options:mdp-gen-vel' on page 28 undefined on input line 2045. LaTeX Warning: Reference `user-guide/mdp-options:mdp-gen-vel' on page 28 undefi ned on input line 2045. LaTeX Warning: Hyper reference `user-guide/mdp-options:mdp-continuation' on pag e 28 undefined on input line 2046. LaTeX Warning: Reference `user-guide/mdp-options:mdp-continuation' on page 28 u ndefined on input line 2046. [28] [29] LaTeX Warning: Hyper reference `onlinehelp/gmx-pme_error:gmx-pme-error' on page 30 undefined on input line 2176. LaTeX Warning: Reference `onlinehelp/gmx-pme_error:gmx-pme-error' on page 30 un defined on input line 2176. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 30 unde fined on input line 2177. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 30 undefined on input line 2177. LaTeX Warning: Hyper reference `install-guide/index:mpi-support' on page 30 und efined on input line 2177. LaTeX Warning: Reference `install-guide/index:mpi-support' on page 30 undefined on input line 2177. LaTeX Warning: Hyper reference `install-guide/index:configure-cmake' on page 30 undefined on input line 2179. LaTeX Warning: Reference `install-guide/index:configure-cmake' on page 30 undef ined on input line 2179. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 30 unde fined on input line 2180. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 30 undefined on input line 2180. LaTeX Warning: Hyper reference `install-guide/index:gmx-special-build' on page 30 undefined on input line 2188. LaTeX Warning: Reference `install-guide/index:gmx-special-build' on page 30 und efined on input line 2188. LaTeX Warning: Hyper reference `reference-manual/file-formats:gmx-structure-fil es' on page 30 undefined on input line 2197. LaTeX Warning: Reference `reference-manual/file-formats:gmx-structure-files' on page 30 undefined on input line 2197. LaTeX Warning: Hyper reference `onlinehelp/gmx-solvate:gmx-solvate' on page 30 undefined on input line 2197. LaTeX Warning: Reference `onlinehelp/gmx-solvate:gmx-solvate' on page 30 undefi ned on input line 2197. LaTeX Warning: Hyper reference `reference-manual/file-formats:gmx-structure-fil es' on page 30 undefined on input line 2199. LaTeX Warning: Reference `reference-manual/file-formats:gmx-structure-files' on page 30 undefined on input line 2199. LaTeX Warning: Hyper reference `onlinehelp/gmx-solvate:gmx-solvate' on page 30 undefined on input line 2201. LaTeX Warning: Reference `onlinehelp/gmx-solvate:gmx-solvate' on page 30 undefi ned on input line 2201. LaTeX Warning: Hyper reference `onlinehelp/gmx-solvate:gmx-solvate' on page 30 undefined on input line 2203. LaTeX Warning: Reference `onlinehelp/gmx-solvate:gmx-solvate' on page 30 undefi ned on input line 2203. LaTeX Warning: Hyper reference `onlinehelp/gmx-grompp:gmx-grompp' on page 30 un defined on input line 2205. LaTeX Warning: Reference `onlinehelp/gmx-grompp:gmx-grompp' on page 30 undefine d on input line 2205. LaTeX Warning: Hyper reference `onlinehelp/gmx-solvate:gmx-solvate' on page 30 undefined on input line 2209. LaTeX Warning: Reference `onlinehelp/gmx-solvate:gmx-solvate' on page 30 undefi ned on input line 2209. LaTeX Warning: Hyper reference `user-guide/terminology:blowing-up' on page 30 u ndefined on input line 2213. LaTeX Warning: Reference `user-guide/terminology:blowing-up' on page 30 undefin ed on input line 2213. LaTeX Warning: Hyper reference `reference-manual/file-formats:top' on page 30 u ndefined on input line 2215. LaTeX Warning: Reference `reference-manual/file-formats:top' on page 30 undefin ed on input line 2215. LaTeX Warning: Hyper reference `reference-manual/file-formats:itp' on page 30 u ndefined on input line 2229. LaTeX Warning: Reference `reference-manual/file-formats:itp' on page 30 undefin ed on input line 2229. LaTeX Warning: Hyper reference `reference-manual/file-formats:top' on page 30 u ndefined on input line 2230. LaTeX Warning: Reference `reference-manual/file-formats:top' on page 30 undefin ed on input line 2230. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 30 u ndefined on input line 2236. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 30 undefin ed on input line 2236. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 30 u ndefined on input line 2238. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 30 undefin ed on input line 2238. LaTeX Warning: Hyper reference `reference-manual/file-formats:gmx-structure-fil es' on page 30 undefined on input line 2238. LaTeX Warning: Reference `reference-manual/file-formats:gmx-structure-files' on page 30 undefined on input line 2238. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 30 u ndefined on input line 2240. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 30 undefin ed on input line 2240. LaTeX Warning: Hyper reference `user-guide/getting-started:gmx-need-for-gro' on page 30 undefined on input line 2240. LaTeX Warning: Reference `user-guide/getting-started:gmx-need-for-gro' on page 30 undefined on input line 2240. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 30 u ndefined on input line 2241. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 30 undefin ed on input line 2241. LaTeX Warning: Hyper reference `onlinehelp/gmx-pdb2gmx:gmx-pdb2gmx' on page 30 undefined on input line 2244. LaTeX Warning: Reference `onlinehelp/gmx-pdb2gmx:gmx-pdb2gmx' on page 30 undefi ned on input line 2244. LaTeX Warning: Hyper reference `reference-manual/file-formats:itp' on page 30 u ndefined on input line 2244. LaTeX Warning: Reference `reference-manual/file-formats:itp' on page 30 undefin ed on input line 2244. LaTeX Warning: Hyper reference `reference-manual/file-formats:itp' on page 30 u ndefined on input line 2246. LaTeX Warning: Reference `reference-manual/file-formats:itp' on page 30 undefin ed on input line 2246. LaTeX Warning: Hyper reference `reference-manual/file-formats:top' on page 30 u ndefined on input line 2246. LaTeX Warning: Reference `reference-manual/file-formats:top' on page 30 undefin ed on input line 2246. [30] LaTeX Warning: Hyper reference `user-guide/run-time-errors:gmx-atom-missing' on page 31 undefined on input line 2255. LaTeX Warning: Reference `user-guide/run-time-errors:gmx-atom-missing' on page 31 undefined on input line 2255. LaTeX Warning: Hyper reference `user-guide/floating-point:gmx-floating-point' o n page 31 undefined on input line 2264. LaTeX Warning: Reference `user-guide/floating-point:gmx-floating-point' on page 31 undefined on input line 2264. LaTeX Warning: Hyper reference `user-guide/terminology:gmx-thermostats' on page 31 undefined on input line 2280. LaTeX Warning: Reference `user-guide/terminology:gmx-thermostats' on page 31 un defined on input line 2280. LaTeX Warning: Hyper reference `user-guide/terminology:gmx-thermostats-dont' on page 31 undefined on input line 2281. LaTeX Warning: Reference `user-guide/terminology:gmx-thermostats-dont' on page 31 undefined on input line 2281. LaTeX Warning: Hyper reference `user-guide/mdp-options:mdp-tinit' on page 31 un defined on input line 2287. LaTeX Warning: Reference `user-guide/mdp-options:mdp-tinit' on page 31 undefine d on input line 2287. LaTeX Warning: Hyper reference `user-guide/mdp-options:mdp-init-step' on page 3 1 undefined on input line 2287. LaTeX Warning: Reference `user-guide/mdp-options:mdp-init-step' on page 31 unde fined on input line 2287. LaTeX Warning: Hyper reference `onlinehelp/gmx-genrestr:gmx-genrestr' on page 3 1 undefined on input line 2302. LaTeX Warning: Reference `onlinehelp/gmx-genrestr:gmx-genrestr' on page 31 unde fined on input line 2302. LaTeX Warning: Hyper reference `user-guide/managing-simulations:managing-long-s imulations' on page 31 undefined on input line 2307. LaTeX Warning: Reference `user-guide/managing-simulations:managing-long-simulat ions' on page 31 undefined on input line 2307. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 31 u ndefined on input line 2308. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 31 undefin ed on input line 2308. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 31 u ndefined on input line 2309. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 31 undefin ed on input line 2309. LaTeX Warning: Hyper reference `onlinehelp/gmx-convert-tpr:gmx-convert-tpr' on page 31 undefined on input line 2309. LaTeX Warning: Reference `onlinehelp/gmx-convert-tpr:gmx-convert-tpr' on page 3 1 undefined on input line 2309. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 31 unde fined on input line 2314. LaTeX Warning: Reference `onlinehelp/gmx-mdrun:gmx-mdrun' on page 31 undefined on input line 2314. LaTeX Warning: Hyper reference `user-guide/mdrun-features:single-point-energy' on page 31 undefined on input line 2315. LaTeX Warning: Reference `user-guide/mdrun-features:single-point-energy' on pag e 31 undefined on input line 2315. [31] LaTeX Warning: Hyper reference `user-guide/terminology:gmx-md' on page 32 undef ined on input line 2329. LaTeX Warning: Reference `user-guide/terminology:gmx-md' on page 32 undefined o n input line 2329. LaTeX Warning: Hyper reference `user-guide/terminology:gmx-force-field' on page 32 undefined on input line 2333. LaTeX Warning: Reference `user-guide/terminology:gmx-force-field' on page 32 un defined on input line 2333. LaTeX Warning: Hyper reference `user-guide/terminology:gmx-force-field' on page 32 undefined on input line 2342. LaTeX Warning: Reference `user-guide/terminology:gmx-force-field' on page 32 un defined on input line 2342. LaTeX Warning: Hyper reference `reference-manual/file-formats:top' on page 32 u ndefined on input line 2360. LaTeX Warning: Reference `reference-manual/file-formats:top' on page 32 undefin ed on input line 2360. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 32 u ndefined on input line 2362. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 32 undefin ed on input line 2362. LaTeX Warning: Hyper reference `onlinehelp/gmx-grompp:gmx-grompp' on page 32 un defined on input line 2363. LaTeX Warning: Reference `onlinehelp/gmx-grompp:gmx-grompp' on page 32 undefine d on input line 2363. LaTeX Warning: Hyper reference `user-guide/terminology:gmx-pbc' on page 32 unde fined on input line 2369. LaTeX Warning: Reference `user-guide/terminology:gmx-pbc' on page 32 undefined on input line 2369. LaTeX Warning: Hyper reference `onlinehelp/gmx-trjconv:gmx-trjconv' on page 32 undefined on input line 2370. LaTeX Warning: Reference `onlinehelp/gmx-trjconv:gmx-trjconv' on page 32 undefi ned on input line 2370. LaTeX Warning: Hyper reference `user-guide/floating-point:gmx-floating-point' o n page 32 undefined on input line 2376. LaTeX Warning: Reference `user-guide/floating-point:gmx-floating-point' on page 32 undefined on input line 2376. LaTeX Warning: Hyper reference `user-guide/terminology:gmx-force-field' on page 32 undefined on input line 2388. LaTeX Warning: Reference `user-guide/terminology:gmx-force-field' on page 32 un defined on input line 2388. [32] LaTeX Warning: Hyper reference `user-guide/terminology:gmx-md' on page 33 undef ined on input line 2455. LaTeX Warning: Reference `user-guide/terminology:gmx-md' on page 33 undefined o n input line 2455. LaTeX Warning: Hyper reference `user-guide/terminology:gmx-force-field' on page 33 undefined on input line 2456. LaTeX Warning: Reference `user-guide/terminology:gmx-force-field' on page 33 un defined on input line 2456. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 33 u ndefined on input line 2460. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 33 undefin ed on input line 2460. [33] LaTeX Warning: Hyper reference `user-guide/terminology:gmx-force-field' on page 34 undefined on input line 2498. LaTeX Warning: Reference `user-guide/terminology:gmx-force-field' on page 34 un defined on input line 2498. [34] [35] [36] [37] [38] [39] LaTeX Warning: Hyper reference `onlinehelp/gmx-covar::doc' on page 40 undefined on input line 3044. LaTeX Warning: Reference `onlinehelp/gmx-covar::doc' on page 40 undefined on in put line 3044. LaTeX Warning: Hyper reference `onlinehelp/gmx-nmeig::doc' on page 40 undefined on input line 3045. LaTeX Warning: Reference `onlinehelp/gmx-nmeig::doc' on page 40 undefined on in put line 3045. LaTeX Warning: Hyper reference `onlinehelp/gmx-analyze::doc' on page 40 undefin ed on input line 3068. LaTeX Warning: Reference `onlinehelp/gmx-analyze::doc' on page 40 undefined on input line 3068. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 40 u ndefined on input line 3085. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 40 undefin ed on input line 3085. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 40 u ndefined on input line 3086. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 40 undefin ed on input line 3086. [40] LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 41 u ndefined on input line 3130. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 41 undefin ed on input line 3130. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 41 u ndefined on input line 3130. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 41 undefin ed on input line 3130. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 41 u ndefined on input line 3130. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 41 undefin ed on input line 3130. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 41 u ndefined on input line 3133. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 41 undefin ed on input line 3133. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 41 u ndefined on input line 3133. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 41 undefin ed on input line 3133. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 41 u ndefined on input line 3133. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 41 undefin ed on input line 3133. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 41 u ndefined on input line 3136. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 41 undefin ed on input line 3136. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 41 u ndefined on input line 3136. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 41 undefin ed on input line 3136. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 41 u ndefined on input line 3136. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 41 undefin ed on input line 3136. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 41 u ndefined on input line 3136. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 41 undefin ed on input line 3136. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 41 u ndefined on input line 3136. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 41 undefin ed on input line 3136. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 41 u ndefined on input line 3136. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 41 undefin ed on input line 3136. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 41 u ndefined on input line 3136. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 41 undefin ed on input line 3136. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 41 u ndefined on input line 3139. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 41 undefin ed on input line 3139. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 41 u ndefined on input line 3139. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 41 undefin ed on input line 3139. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 41 u ndefined on input line 3139. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 41 undefin ed on input line 3139. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 41 u ndefined on input line 3139. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 41 undefin ed on input line 3139. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 41 u ndefined on input line 3167. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 41 undefin ed on input line 3167. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 41 u ndefined on input line 3167. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 41 undefin ed on input line 3167. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 41 u ndefined on input line 3167. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 41 undefin ed on input line 3167. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 41 u ndefined on input line 3170. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 41 undefin ed on input line 3170. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 41 u ndefined on input line 3170. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 41 undefin ed on input line 3170. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 41 u ndefined on input line 3170. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 41 undefin ed on input line 3170. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 41 u ndefined on input line 3170. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 41 undefin ed on input line 3170. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 41 u ndefined on input line 3170. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 41 undefin ed on input line 3170. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 41 u ndefined on input line 3170. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 41 undefin ed on input line 3170. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 41 u ndefined on input line 3170. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 41 undefin ed on input line 3170. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 41 u ndefined on input line 3173. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 41 undefin ed on input line 3173. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 41 u ndefined on input line 3173. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 41 undefin ed on input line 3173. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 41 u ndefined on input line 3173. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 41 undefin ed on input line 3173. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 41 u ndefined on input line 3173. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 41 undefin ed on input line 3173. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 41 u ndefined on input line 3173. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 41 undefin ed on input line 3173. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 41 u ndefined on input line 3173. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 41 undefin ed on input line 3173. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 41 u ndefined on input line 3173. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 41 undefin ed on input line 3173. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 41 u ndefined on input line 3198. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 41 undefin ed on input line 3198. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 41 u ndefined on input line 3198. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 41 undefin ed on input line 3198. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 41 u ndefined on input line 3198. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 41 undefin ed on input line 3198. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 41 u ndefined on input line 3198. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 41 undefin ed on input line 3198. [41] [42] Package textcomp Warning: Symbol \textasciigrave not provided by (textcomp) font family pcr in TS1 encoding. (textcomp) Default family used instead on input line 3310. (/usr/share/texlive/texmf-dist/tex/latex/base/t1cmtt.fd) (/usr/share/texlive/texmf-dist/tex/latex/base/ts1cmtt.fd) Package textcomp Warning: Symbol \textasciigrave not provided by (textcomp) font family pcr in TS1 encoding. (textcomp) Default family used instead on input line 3310. Package textcomp Warning: Symbol \textasciigrave not provided by (textcomp) font family pcr in TS1 encoding. (textcomp) Default family used instead on input line 3310. Package textcomp Warning: Symbol \textasciigrave not provided by (textcomp) font family pcr in TS1 encoding. (textcomp) Default family used instead on input line 3310. Package textcomp Warning: Symbol \textasciigrave not provided by (textcomp) font family ptm in TS1 encoding. (textcomp) Default family used instead on input line 3322. Package textcomp Warning: Symbol \textasciigrave not provided by (textcomp) font family ptm in TS1 encoding. (textcomp) Default family used instead on input line 3322. Package textcomp Warning: Symbol \textasciigrave not provided by (textcomp) font family ptm in TS1 encoding. (textcomp) Default family used instead on input line 3322. Package textcomp Warning: Symbol \textasciigrave not provided by (textcomp) font family ptm in TS1 encoding. (textcomp) Default family used instead on input line 3322. LaTeX Warning: Hyper reference `onlinehelp/gmx-hbond::doc' on page 43 undefined on input line 3342. LaTeX Warning: Reference `onlinehelp/gmx-hbond::doc' on page 43 undefined on in put line 3342. [43] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 44 u ndefined on input line 3393. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 44 undefin ed on input line 3393. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 44 u ndefined on input line 3393. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 44 undefin ed on input line 3393. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 44 u ndefined on input line 3393. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 44 undefin ed on input line 3393. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 44 u ndefined on input line 3393. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 44 undefin ed on input line 3393. LaTeX Warning: Hyper reference `onlinehelp/gmx-hbond::doc' on page 44 undefined on input line 3432. LaTeX Warning: Reference `onlinehelp/gmx-hbond::doc' on page 44 undefined on in put line 3432. [44] LaTeX Warning: Hyper reference `onlinehelp/gmx-covar::doc' on page 45 undefined on input line 3513. LaTeX Warning: Reference `onlinehelp/gmx-covar::doc' on page 45 undefined on in put line 3513. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 45 u ndefined on input line 3526. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 45 undefin ed on input line 3526. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 45 u ndefined on input line 3526. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 45 undefin ed on input line 3526. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 45 u ndefined on input line 3526. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 45 undefin ed on input line 3526. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 45 u ndefined on input line 3526. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 45 undefin ed on input line 3526. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 45 u ndefined on input line 3526. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 45 undefin ed on input line 3526. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 45 u ndefined on input line 3526. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 45 undefin ed on input line 3526. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 45 u ndefined on input line 3526. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 45 undefin ed on input line 3526. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 45 u ndefined on input line 3570. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 45 undefin ed on input line 3570. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 45 u ndefined on input line 3570. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 45 undefin ed on input line 3570. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 45 u ndefined on input line 3570. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 45 undefin ed on input line 3570. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 45 u ndefined on input line 3570. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 45 undefin ed on input line 3570. [45] [46] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 47 u ndefined on input line 3679. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 47 undefin ed on input line 3679. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 47 u ndefined on input line 3679. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 47 undefin ed on input line 3679. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 47 u ndefined on input line 3679. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 47 undefin ed on input line 3679. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 47 u ndefined on input line 3679. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 47 undefin ed on input line 3679. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 47 u ndefined on input line 3717. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 47 undefin ed on input line 3717. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 47 u ndefined on input line 3723. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 47 undefin ed on input line 3723. LaTeX Warning: Hyper reference `reference-manual/file-formats:edr' on page 47 u ndefined on input line 3754. LaTeX Warning: Reference `reference-manual/file-formats:edr' on page 47 undefin ed on input line 3754. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 47 u ndefined on input line 3756. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 47 undefin ed on input line 3756. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 47 u ndefined on input line 3757. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 47 undefin ed on input line 3757. [47] LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 48 u ndefined on input line 3762. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 48 undefin ed on input line 3762. Package textcomp Warning: Symbol \textasciigrave not provided by (textcomp) font family ptm in TS1 encoding. (textcomp) Default family used instead on input line 3764. Package textcomp Warning: Symbol \textasciigrave not provided by (textcomp) font family ptm in TS1 encoding. (textcomp) Default family used instead on input line 3764. Package textcomp Warning: Symbol \textasciigrave not provided by (textcomp) font family ptm in TS1 encoding. (textcomp) Default family used instead on input line 3764. Package textcomp Warning: Symbol \textasciigrave not provided by (textcomp) font family ptm in TS1 encoding. (textcomp) Default family used instead on input line 3764. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 48 u ndefined on input line 3859. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 48 undefin ed on input line 3859. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 48 u ndefined on input line 3859. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 48 undefin ed on input line 3859. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 48 u ndefined on input line 3859. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 48 undefin ed on input line 3859. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 48 u ndefined on input line 3859. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 48 undefin ed on input line 3859. [48] LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 49 u ndefined on input line 3924. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 49 undefin ed on input line 3924. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 49 u ndefined on input line 3935. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 49 undefin ed on input line 3935. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 49 u ndefined on input line 3935. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 49 undefin ed on input line 3935. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 49 u ndefined on input line 3935. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 49 undefin ed on input line 3935. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 49 u ndefined on input line 3935. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 49 undefin ed on input line 3935. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 49 u ndefined on input line 3935. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 49 undefin ed on input line 3935. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 49 u ndefined on input line 3935. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 49 undefin ed on input line 3935. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 49 u ndefined on input line 3935. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 49 undefin ed on input line 3935. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 49 u ndefined on input line 3938. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 49 undefin ed on input line 3938. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 49 u ndefined on input line 3938. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 49 undefin ed on input line 3938. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 49 u ndefined on input line 3938. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 49 undefin ed on input line 3938. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 49 u ndefined on input line 3938. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 49 undefin ed on input line 3938. [49] LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 50 u ndefined on input line 4020. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 50 undefin ed on input line 4020. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 50 u ndefined on input line 4020. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 50 undefin ed on input line 4020. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 50 u ndefined on input line 4021. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 50 undefin ed on input line 4021. LaTeX Warning: Hyper reference `reference-manual/file-formats:edr' on page 50 u ndefined on input line 4021. LaTeX Warning: Reference `reference-manual/file-formats:edr' on page 50 undefin ed on input line 4021. LaTeX Warning: Hyper reference `reference-manual/file-formats:ndx' on page 50 u ndefined on input line 4022. LaTeX Warning: Reference `reference-manual/file-formats:ndx' on page 50 undefin ed on input line 4022. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 50 u ndefined on input line 4035. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 50 undefin ed on input line 4035. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 50 u ndefined on input line 4042. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 50 undefin ed on input line 4042. [50] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 51 u ndefined on input line 4061. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 51 undefin ed on input line 4061. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 51 u ndefined on input line 4061. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 51 undefin ed on input line 4061. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 51 u ndefined on input line 4061. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 51 undefin ed on input line 4061. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 51 u ndefined on input line 4061. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 51 undefin ed on input line 4061. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 51 u ndefined on input line 4061. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 51 undefin ed on input line 4061. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 51 u ndefined on input line 4061. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 51 undefin ed on input line 4061. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 51 u ndefined on input line 4061. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 51 undefin ed on input line 4061. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 51 u ndefined on input line 4064. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 51 undefin ed on input line 4064. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 51 u ndefined on input line 4064. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 51 undefin ed on input line 4064. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 51 u ndefined on input line 4064. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 51 undefin ed on input line 4064. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 51 u ndefined on input line 4064. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 51 undefin ed on input line 4064. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 51 u ndefined on input line 4064. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 51 undefin ed on input line 4064. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 51 u ndefined on input line 4064. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 51 undefin ed on input line 4064. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 51 u ndefined on input line 4064. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 51 undefin ed on input line 4064. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 51 u ndefined on input line 4073. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 51 undefin ed on input line 4073. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 51 u ndefined on input line 4073. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 51 undefin ed on input line 4073. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 51 u ndefined on input line 4073. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 51 undefin ed on input line 4073. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 51 u ndefined on input line 4073. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 51 undefin ed on input line 4073. [51] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 52 u ndefined on input line 4189. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 52 undefin ed on input line 4189. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 52 u ndefined on input line 4190. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 52 undefin ed on input line 4190. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 52 u ndefined on input line 4195. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 52 undefin ed on input line 4195. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 52 u ndefined on input line 4221. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 52 undefin ed on input line 4221. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 52 u ndefined on input line 4221. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 52 undefin ed on input line 4221. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 52 u ndefined on input line 4221. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 52 undefin ed on input line 4221. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 52 u ndefined on input line 4221. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 52 undefin ed on input line 4221. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 52 u ndefined on input line 4224. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 52 undefin ed on input line 4224. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 52 u ndefined on input line 4224. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 52 undefin ed on input line 4224. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 52 u ndefined on input line 4224. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 52 undefin ed on input line 4224. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 52 u ndefined on input line 4224. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 52 undefin ed on input line 4224. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 52 u ndefined on input line 4224. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 52 undefin ed on input line 4224. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 52 u ndefined on input line 4224. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 52 undefin ed on input line 4224. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 52 u ndefined on input line 4224. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 52 undefin ed on input line 4224. [52] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 53 u ndefined on input line 4274. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 53 undefin ed on input line 4274. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 53 u ndefined on input line 4274. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 53 undefin ed on input line 4274. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 53 u ndefined on input line 4274. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 53 undefin ed on input line 4274. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 53 u ndefined on input line 4274. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 53 undefin ed on input line 4274. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 53 u ndefined on input line 4322. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 53 undefin ed on input line 4322. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 53 u ndefined on input line 4325. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 53 undefin ed on input line 4325. [53] LaTeX Warning: Hyper reference `onlinehelp/gmx-rama::doc' on page 54 undefined on input line 4363. LaTeX Warning: Reference `onlinehelp/gmx-rama::doc' on page 54 undefined on inp ut line 4363. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 54 u ndefined on input line 4399. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 54 undefin ed on input line 4399. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 54 u ndefined on input line 4421. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 54 undefin ed on input line 4421. [54] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 55 u ndefined on input line 4499. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 55 undefin ed on input line 4499. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 55 u ndefined on input line 4499. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 55 undefin ed on input line 4499. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 55 u ndefined on input line 4499. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 55 undefin ed on input line 4499. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 55 u ndefined on input line 4499. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 55 undefin ed on input line 4499. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 55 u ndefined on input line 4499. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 55 undefin ed on input line 4499. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 55 u ndefined on input line 4499. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 55 undefin ed on input line 4499. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 55 u ndefined on input line 4499. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 55 undefin ed on input line 4499. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 55 u ndefined on input line 4502. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 55 undefin ed on input line 4502. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 55 u ndefined on input line 4502. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 55 undefin ed on input line 4502. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 55 u ndefined on input line 4502. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 55 undefin ed on input line 4502. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 55 u ndefined on input line 4502. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 55 undefin ed on input line 4502. [55] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 56 u ndefined on input line 4545. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 56 undefin ed on input line 4545. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 56 u ndefined on input line 4545. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 56 undefin ed on input line 4545. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 56 u ndefined on input line 4545. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 56 undefin ed on input line 4545. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 56 u ndefined on input line 4545. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 56 undefin ed on input line 4545. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 56 u ndefined on input line 4545. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 56 undefin ed on input line 4545. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 56 u ndefined on input line 4545. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 56 undefin ed on input line 4545. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 56 u ndefined on input line 4545. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 56 undefin ed on input line 4545. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 56 u ndefined on input line 4567. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 56 undefin ed on input line 4567. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 56 u ndefined on input line 4567. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 56 undefin ed on input line 4567. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 56 u ndefined on input line 4567. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 56 undefin ed on input line 4567. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 56 u ndefined on input line 4567. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 56 undefin ed on input line 4567. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 56 u ndefined on input line 4606. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 56 undefin ed on input line 4606. [56] LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 57 u ndefined on input line 4654. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 57 undefin ed on input line 4654. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 57 u ndefined on input line 4655. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 57 undefin ed on input line 4655. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 57 u ndefined on input line 4663. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 57 undefin ed on input line 4663. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 57 u ndefined on input line 4679. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 57 undefin ed on input line 4679. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 57 u ndefined on input line 4679. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 57 undefin ed on input line 4679. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 57 u ndefined on input line 4679. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 57 undefin ed on input line 4679. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 57 u ndefined on input line 4679. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 57 undefin ed on input line 4679. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 57 u ndefined on input line 4679. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 57 undefin ed on input line 4679. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 57 u ndefined on input line 4679. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 57 undefin ed on input line 4679. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 57 u ndefined on input line 4679. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 57 undefin ed on input line 4679. [57] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 58 u ndefined on input line 4732. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 58 undefin ed on input line 4732. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 58 u ndefined on input line 4732. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 58 undefin ed on input line 4732. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 58 u ndefined on input line 4732. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 58 undefin ed on input line 4732. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 58 u ndefined on input line 4732. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 58 undefin ed on input line 4732. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 58 u ndefined on input line 4741. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 58 undefin ed on input line 4741. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 58 u ndefined on input line 4750. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 58 undefin ed on input line 4750. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 58 u ndefined on input line 4786. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 58 undefin ed on input line 4786. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 58 u ndefined on input line 4788. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 58 undefin ed on input line 4788. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 58 u ndefined on input line 4797. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 58 undefin ed on input line 4797. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 58 u ndefined on input line 4797. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 58 undefin ed on input line 4797. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 58 u ndefined on input line 4797. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 58 undefin ed on input line 4797. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 58 u ndefined on input line 4797. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 58 undefin ed on input line 4797. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 58 u ndefined on input line 4800. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 58 undefin ed on input line 4800. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 58 u ndefined on input line 4800. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 58 undefin ed on input line 4800. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 58 u ndefined on input line 4800. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 58 undefin ed on input line 4800. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 58 u ndefined on input line 4800. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 58 undefin ed on input line 4800. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 58 u ndefined on input line 4813. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 58 undefin ed on input line 4813. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 58 u ndefined on input line 4813. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 58 undefin ed on input line 4813. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 58 u ndefined on input line 4813. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 58 undefin ed on input line 4813. [58] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 59 u ndefined on input line 4823. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 59 undefin ed on input line 4823. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 59 u ndefined on input line 4823. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 59 undefin ed on input line 4823. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 59 u ndefined on input line 4823. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 59 undefin ed on input line 4823. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 59 u ndefined on input line 4823. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 59 undefin ed on input line 4823. [59] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 60 u ndefined on input line 4953. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 60 undefin ed on input line 4953. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 60 u ndefined on input line 4953. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 60 undefin ed on input line 4953. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 60 u ndefined on input line 4953. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 60 undefin ed on input line 4953. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 60 u ndefined on input line 4953. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 60 undefin ed on input line 4953. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 60 u ndefined on input line 4953. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 60 undefin ed on input line 4953. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 60 u ndefined on input line 4953. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 60 undefin ed on input line 4953. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 60 u ndefined on input line 4953. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 60 undefin ed on input line 4953. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 60 u ndefined on input line 4956. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 60 undefin ed on input line 4956. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 60 u ndefined on input line 4956. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 60 undefin ed on input line 4956. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 60 u ndefined on input line 4956. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 60 undefin ed on input line 4956. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 60 u ndefined on input line 4956. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 60 undefin ed on input line 4956. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 60 u ndefined on input line 4966. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 60 undefin ed on input line 4966. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 60 u ndefined on input line 4966. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 60 undefin ed on input line 4966. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 60 u ndefined on input line 4966. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 60 undefin ed on input line 4966. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 60 u ndefined on input line 4966. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 60 undefin ed on input line 4966. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 60 u ndefined on input line 4966. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 60 undefin ed on input line 4966. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 60 u ndefined on input line 4966. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 60 undefin ed on input line 4966. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 60 u ndefined on input line 4966. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 60 undefin ed on input line 4966. [60] LaTeX Warning: Hyper reference `onlinehelp/gmx-anaeig::doc' on page 61 undefine d on input line 5060. LaTeX Warning: Reference `onlinehelp/gmx-anaeig::doc' on page 61 undefined on i nput line 5060. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 61 u ndefined on input line 5065. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 61 undefin ed on input line 5065. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 61 u ndefined on input line 5067. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 61 undefin ed on input line 5067. [61] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 62 u ndefined on input line 5084. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 62 undefin ed on input line 5084. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 62 u ndefined on input line 5084. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 62 undefin ed on input line 5084. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 62 u ndefined on input line 5084. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 62 undefin ed on input line 5084. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 62 u ndefined on input line 5084. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 62 undefin ed on input line 5084. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 62 u ndefined on input line 5084. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 62 undefin ed on input line 5084. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 62 u ndefined on input line 5084. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 62 undefin ed on input line 5084. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 62 u ndefined on input line 5084. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 62 undefin ed on input line 5084. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 62 u ndefined on input line 5087. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 62 undefin ed on input line 5087. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 62 u ndefined on input line 5087. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 62 undefin ed on input line 5087. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 62 u ndefined on input line 5087. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 62 undefin ed on input line 5087. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 62 u ndefined on input line 5087. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 62 undefin ed on input line 5087. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 62 u ndefined on input line 5100. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 62 undefin ed on input line 5100. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 62 u ndefined on input line 5100. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 62 undefin ed on input line 5100. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 62 u ndefined on input line 5100. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 62 undefin ed on input line 5100. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 62 u ndefined on input line 5103. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 62 undefin ed on input line 5103. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 62 u ndefined on input line 5103. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 62 undefin ed on input line 5103. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 62 u ndefined on input line 5103. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 62 undefin ed on input line 5103. [62] LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 63 u ndefined on input line 5210. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 63 undefin ed on input line 5210. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 63 u ndefined on input line 5210. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 63 undefin ed on input line 5210. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 63 u ndefined on input line 5210. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 63 undefin ed on input line 5210. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 63 u ndefined on input line 5210. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 63 undefin ed on input line 5210. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 63 u ndefined on input line 5216. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 63 undefin ed on input line 5216. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 63 u ndefined on input line 5216. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 63 undefin ed on input line 5216. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 63 u ndefined on input line 5216. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 63 undefin ed on input line 5216. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 63 u ndefined on input line 5216. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 63 undefin ed on input line 5216. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 63 u ndefined on input line 5216. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 63 undefin ed on input line 5216. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 63 u ndefined on input line 5216. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 63 undefin ed on input line 5216. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 63 u ndefined on input line 5216. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 63 undefin ed on input line 5216. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 63 u ndefined on input line 5254. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 63 undefin ed on input line 5254. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 63 u ndefined on input line 5254. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 63 undefin ed on input line 5254. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 63 u ndefined on input line 5254. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 63 undefin ed on input line 5254. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 63 u ndefined on input line 5254. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 63 undefin ed on input line 5254. [63] LaTeX Warning: Hyper reference `onlinehelp/gmx-energy::doc' on page 64 undefine d on input line 5303. LaTeX Warning: Reference `onlinehelp/gmx-energy::doc' on page 64 undefined on i nput line 5303. [64] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 65 u ndefined on input line 5372. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 65 undefin ed on input line 5372. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 65 u ndefined on input line 5372. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 65 undefin ed on input line 5372. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 65 u ndefined on input line 5372. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 65 undefin ed on input line 5372. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 65 u ndefined on input line 5372. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 65 undefin ed on input line 5372. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 65 u ndefined on input line 5372. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 65 undefin ed on input line 5372. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 65 u ndefined on input line 5372. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 65 undefin ed on input line 5372. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 65 u ndefined on input line 5372. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 65 undefin ed on input line 5372. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 65 u ndefined on input line 5404. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 65 undefin ed on input line 5404. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 65 u ndefined on input line 5404. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 65 undefin ed on input line 5404. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 65 u ndefined on input line 5404. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 65 undefin ed on input line 5404. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 65 u ndefined on input line 5404. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 65 undefin ed on input line 5404. [65] LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 66 u ndefined on input line 5459. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 66 undefin ed on input line 5459. LaTeX Warning: Hyper reference `reference-manual/file-formats:dat' on page 66 u ndefined on input line 5461. LaTeX Warning: Reference `reference-manual/file-formats:dat' on page 66 undefin ed on input line 5461. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 66 u ndefined on input line 5462. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 66 undefin ed on input line 5462. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 66 u ndefined on input line 5497. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 66 undefin ed on input line 5497. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 66 u ndefined on input line 5497. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 66 undefin ed on input line 5497. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 66 u ndefined on input line 5497. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 66 undefin ed on input line 5497. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 66 u ndefined on input line 5497. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 66 undefin ed on input line 5497. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 66 u ndefined on input line 5497. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 66 undefin ed on input line 5497. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 66 u ndefined on input line 5497. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 66 undefin ed on input line 5497. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 66 u ndefined on input line 5497. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 66 undefin ed on input line 5497. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 66 u ndefined on input line 5500. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 66 undefin ed on input line 5500. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 66 u ndefined on input line 5500. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 66 undefin ed on input line 5500. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 66 u ndefined on input line 5500. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 66 undefin ed on input line 5500. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 66 u ndefined on input line 5500. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 66 undefin ed on input line 5500. [66] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 67 u ndefined on input line 5529. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 67 undefin ed on input line 5529. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 67 u ndefined on input line 5529. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 67 undefin ed on input line 5529. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 67 u ndefined on input line 5529. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 67 undefin ed on input line 5529. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 67 u ndefined on input line 5529. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 67 undefin ed on input line 5529. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 67 u ndefined on input line 5606. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 67 undefin ed on input line 5606. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 67 u ndefined on input line 5606. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 67 undefin ed on input line 5606. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 67 u ndefined on input line 5606. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 67 undefin ed on input line 5606. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 67 u ndefined on input line 5606. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 67 undefin ed on input line 5606. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 67 u ndefined on input line 5606. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 67 undefin ed on input line 5606. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 67 u ndefined on input line 5606. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 67 undefin ed on input line 5606. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 67 u ndefined on input line 5606. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 67 undefin ed on input line 5606. [67] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 68 u ndefined on input line 5641. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 68 undefin ed on input line 5641. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 68 u ndefined on input line 5641. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 68 undefin ed on input line 5641. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 68 u ndefined on input line 5641. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 68 undefin ed on input line 5641. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 68 u ndefined on input line 5641. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 68 undefin ed on input line 5641. LaTeX Warning: Hyper reference `onlinehelp/gmx-dipoles::doc' on page 68 undefin ed on input line 5694. LaTeX Warning: Reference `onlinehelp/gmx-dipoles::doc' on page 68 undefined on input line 5694. [68] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 69 u ndefined on input line 5758. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 69 undefin ed on input line 5758. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 69 u ndefined on input line 5758. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 69 undefin ed on input line 5758. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 69 u ndefined on input line 5758. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 69 undefin ed on input line 5758. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 69 u ndefined on input line 5758. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 69 undefin ed on input line 5758. [69] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 70 u ndefined on input line 5879. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 70 undefin ed on input line 5879. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 70 u ndefined on input line 5879. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 70 undefin ed on input line 5879. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 70 u ndefined on input line 5879. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 70 undefin ed on input line 5879. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 70 u ndefined on input line 5879. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 70 undefin ed on input line 5879. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 70 u ndefined on input line 5879. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 70 undefin ed on input line 5879. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 70 u ndefined on input line 5879. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 70 undefin ed on input line 5879. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 70 u ndefined on input line 5879. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 70 undefin ed on input line 5879. [70] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 71 u ndefined on input line 5938. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 71 undefin ed on input line 5938. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 71 u ndefined on input line 5938. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 71 undefin ed on input line 5938. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 71 u ndefined on input line 5938. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 71 undefin ed on input line 5938. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 71 u ndefined on input line 5938. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 71 undefin ed on input line 5938. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 71 u ndefined on input line 5986. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 71 undefin ed on input line 5986. [71] LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 72 u ndefined on input line 6041. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 72 undefin ed on input line 6041. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 72 u ndefined on input line 6059. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 72 undefin ed on input line 6059. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 72 u ndefined on input line 6059. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 72 undefin ed on input line 6059. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 72 u ndefined on input line 6059. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 72 undefin ed on input line 6059. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 72 u ndefined on input line 6059. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 72 undefin ed on input line 6059. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 72 u ndefined on input line 6059. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 72 undefin ed on input line 6059. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 72 u ndefined on input line 6059. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 72 undefin ed on input line 6059. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 72 u ndefined on input line 6059. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 72 undefin ed on input line 6059. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 72 u ndefined on input line 6109. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 72 undefin ed on input line 6109. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 72 u ndefined on input line 6109. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 72 undefin ed on input line 6109. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 72 u ndefined on input line 6109. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 72 undefin ed on input line 6109. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 72 u ndefined on input line 6109. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 72 undefin ed on input line 6109. [72] Underfull \hbox (badness 10000) in paragraph at lines 6134--6134 []\T1/pcr/m/n/10 gmx[][]distance[][][\T1/pcr/b/n/10 -f[][]\T1/pcr/m/sl/10 [[]< .[]xtc/[].[]trr/[].[].[].[]>[]]\T1/pcr/m/n/10 ][][][\T1/pcr/b/n/10 -s[][]\T1/pc r/m/sl/10 [[]<.[]tpr/[].[]gro/[].[].[].[]>[]]\T1/pcr/m/n/10 ][][][\T1/pcr/b/n/1 0 -n[][]\T1/pcr/m/sl/10 [[]<.[]ndx> LaTeX Warning: Hyper reference `onlinehelp/gmx-pairdist::doc' on page 73 undefi ned on input line 6167. LaTeX Warning: Reference `onlinehelp/gmx-pairdist::doc' on page 73 undefined on input line 6167. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 73 u ndefined on input line 6175. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 73 undefin ed on input line 6175. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 73 u ndefined on input line 6175. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 73 undefin ed on input line 6175. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 73 u ndefined on input line 6175. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 73 undefin ed on input line 6175. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 73 u ndefined on input line 6175. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 73 undefin ed on input line 6175. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 73 u ndefined on input line 6175. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 73 undefin ed on input line 6175. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 73 u ndefined on input line 6175. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 73 undefin ed on input line 6175. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 73 u ndefined on input line 6175. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 73 undefin ed on input line 6175. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 73 u ndefined on input line 6178. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 73 undefin ed on input line 6178. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 73 u ndefined on input line 6178. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 73 undefin ed on input line 6178. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 73 u ndefined on input line 6178. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 73 undefin ed on input line 6178. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 73 u ndefined on input line 6178. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 73 undefin ed on input line 6178. [73] LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 74 u ndefined on input line 6290. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 74 undefin ed on input line 6290. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 74 u ndefined on input line 6292. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 74 undefin ed on input line 6292. [74] LaTeX Warning: Hyper reference `onlinehelp/gmx-chi::doc' on page 75 undefined o n input line 6306. LaTeX Warning: Reference `onlinehelp/gmx-chi::doc' on page 75 undefined on inpu t line 6306. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 75 u ndefined on input line 6316. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 75 undefin ed on input line 6316. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 75 u ndefined on input line 6316. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 75 undefin ed on input line 6316. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 75 u ndefined on input line 6316. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 75 undefin ed on input line 6316. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 75 u ndefined on input line 6316. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 75 undefin ed on input line 6316. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 75 u ndefined on input line 6316. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 75 undefin ed on input line 6316. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 75 u ndefined on input line 6316. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 75 undefin ed on input line 6316. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 75 u ndefined on input line 6316. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 75 undefin ed on input line 6316. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 75 u ndefined on input line 6319. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 75 undefin ed on input line 6319. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 75 u ndefined on input line 6319. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 75 undefin ed on input line 6319. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 75 u ndefined on input line 6319. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 75 undefin ed on input line 6319. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 75 u ndefined on input line 6319. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 75 undefin ed on input line 6319. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 75 u ndefined on input line 6366. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 75 undefin ed on input line 6366. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 75 u ndefined on input line 6366. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 75 undefin ed on input line 6366. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 75 u ndefined on input line 6366. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 75 undefin ed on input line 6366. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 75 u ndefined on input line 6366. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 75 undefin ed on input line 6366. [75] LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 76 u ndefined on input line 6415. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 76 undefin ed on input line 6415. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 76 u ndefined on input line 6415. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 76 undefin ed on input line 6415. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 76 u ndefined on input line 6415. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 76 undefin ed on input line 6415. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 76 u ndefined on input line 6453. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 76 undefin ed on input line 6453. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 76 u ndefined on input line 6453. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 76 undefin ed on input line 6453. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 76 u ndefined on input line 6453. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 76 undefin ed on input line 6453. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 76 u ndefined on input line 6453. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 76 undefin ed on input line 6453. [76] LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 77 u ndefined on input line 6518. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 77 undefin ed on input line 6518. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 77 u ndefined on input line 6519. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 77 undefin ed on input line 6519. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 77 u ndefined on input line 6519. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 77 undefin ed on input line 6519. LaTeX Warning: Hyper reference `reference-manual/file-formats:edr' on page 77 u ndefined on input line 6520. LaTeX Warning: Reference `reference-manual/file-formats:edr' on page 77 undefin ed on input line 6520. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 77 u ndefined on input line 6520. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 77 undefin ed on input line 6520. LaTeX Warning: Hyper reference `reference-manual/file-formats:top' on page 77 u ndefined on input line 6521. LaTeX Warning: Reference `reference-manual/file-formats:top' on page 77 undefin ed on input line 6521. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 77 u ndefined on input line 6535. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 77 undefin ed on input line 6535. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 77 u ndefined on input line 6535. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 77 undefin ed on input line 6535. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 77 u ndefined on input line 6535. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 77 undefin ed on input line 6535. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 77 u ndefined on input line 6535. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 77 undefin ed on input line 6535. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 77 u ndefined on input line 6535. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 77 undefin ed on input line 6535. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 77 u ndefined on input line 6535. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 77 undefin ed on input line 6535. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 77 u ndefined on input line 6535. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 77 undefin ed on input line 6535. [77] LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 78 u ndefined on input line 6578. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 78 undefin ed on input line 6578. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 78 u ndefined on input line 6621. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 78 undefin ed on input line 6621. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 78 u ndefined on input line 6621. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 78 undefin ed on input line 6621. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 78 u ndefined on input line 6621. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 78 undefin ed on input line 6621. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 78 u ndefined on input line 6621. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 78 undefin ed on input line 6621. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 78 u ndefined on input line 6621. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 78 undefin ed on input line 6621. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 78 u ndefined on input line 6621. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 78 undefin ed on input line 6621. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 78 u ndefined on input line 6621. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 78 undefin ed on input line 6621. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 78 u ndefined on input line 6659. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 78 undefin ed on input line 6659. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 78 u ndefined on input line 6659. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 78 undefin ed on input line 6659. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 78 u ndefined on input line 6659. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 78 undefin ed on input line 6659. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 78 u ndefined on input line 6659. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 78 undefin ed on input line 6659. [78] LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 79 u ndefined on input line 6699. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 79 undefin ed on input line 6699. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 79 u ndefined on input line 6700. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 79 undefin ed on input line 6700. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 79 u ndefined on input line 6746. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 79 undefin ed on input line 6746. [79] LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 80 u ndefined on input line 6758. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 80 undefin ed on input line 6758. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 80 u ndefined on input line 6769. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 80 undefin ed on input line 6769. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 80 u ndefined on input line 6784. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 80 undefin ed on input line 6784. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 80 u ndefined on input line 6801. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 80 undefin ed on input line 6801. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 80 u ndefined on input line 6801. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 80 undefin ed on input line 6801. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 80 u ndefined on input line 6801. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 80 undefin ed on input line 6801. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 80 u ndefined on input line 6801. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 80 undefin ed on input line 6801. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 80 u ndefined on input line 6814. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 80 undefin ed on input line 6814. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 80 u ndefined on input line 6814. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 80 undefin ed on input line 6814. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 80 u ndefined on input line 6814. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 80 undefin ed on input line 6814. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 80 u ndefined on input line 6824. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 80 undefin ed on input line 6824. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 80 u ndefined on input line 6824. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 80 undefin ed on input line 6824. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 80 u ndefined on input line 6824. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 80 undefin ed on input line 6824. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 80 u ndefined on input line 6824. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 80 undefin ed on input line 6824. [80] LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 81 u ndefined on input line 6896. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 81 undefin ed on input line 6896. LaTeX Warning: Hyper reference `onlinehelp/gmx-trjconv::doc' on page 81 undefin ed on input line 6907. LaTeX Warning: Reference `onlinehelp/gmx-trjconv::doc' on page 81 undefined on input line 6907. [81] [82] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 83 u ndefined on input line 7092. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 83 undefin ed on input line 7092. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 83 u ndefined on input line 7092. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 83 undefin ed on input line 7092. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 83 u ndefined on input line 7092. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 83 undefin ed on input line 7092. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 83 u ndefined on input line 7092. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 83 undefin ed on input line 7092. [83] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 84 u ndefined on input line 7175. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 84 undefin ed on input line 7175. LaTeX Warning: Hyper reference `onlinehelp/gmx-dos::doc' on page 84 undefined o n input line 7228. LaTeX Warning: Reference `onlinehelp/gmx-dos::doc' on page 84 undefined on inpu t line 7228. [84] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 85 u ndefined on input line 7328. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 85 undefin ed on input line 7328. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 85 u ndefined on input line 7328. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 85 undefin ed on input line 7328. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 85 u ndefined on input line 7328. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 85 undefin ed on input line 7328. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 85 u ndefined on input line 7328. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 85 undefin ed on input line 7328. [85] [86] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 87 u ndefined on input line 7432. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 87 undefin ed on input line 7432. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 87 u ndefined on input line 7432. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 87 undefin ed on input line 7432. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 87 u ndefined on input line 7432. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 87 undefin ed on input line 7432. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 87 u ndefined on input line 7432. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 87 undefin ed on input line 7432. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 87 u ndefined on input line 7432. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 87 undefin ed on input line 7432. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 87 u ndefined on input line 7432. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 87 undefin ed on input line 7432. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 87 u ndefined on input line 7432. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 87 undefin ed on input line 7432. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 87 u ndefined on input line 7435. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 87 undefin ed on input line 7435. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 87 u ndefined on input line 7435. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 87 undefin ed on input line 7435. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 87 u ndefined on input line 7435. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 87 undefin ed on input line 7435. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 87 u ndefined on input line 7435. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 87 undefin ed on input line 7435. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 87 u ndefined on input line 7448. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 87 undefin ed on input line 7448. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 87 u ndefined on input line 7448. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 87 undefin ed on input line 7448. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 87 u ndefined on input line 7448. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 87 undefin ed on input line 7448. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 87 u ndefined on input line 7448. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 87 undefin ed on input line 7448. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 87 u ndefined on input line 7448. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 87 undefin ed on input line 7448. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 87 u ndefined on input line 7448. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 87 undefin ed on input line 7448. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 87 u ndefined on input line 7448. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 87 undefin ed on input line 7448. [87] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 88 u ndefined on input line 7553. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 88 undefin ed on input line 7553. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 88 u ndefined on input line 7553. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 88 undefin ed on input line 7553. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 88 u ndefined on input line 7553. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 88 undefin ed on input line 7553. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 88 u ndefined on input line 7553. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 88 undefin ed on input line 7553. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 88 u ndefined on input line 7553. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 88 undefin ed on input line 7553. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 88 u ndefined on input line 7553. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 88 undefin ed on input line 7553. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 88 u ndefined on input line 7553. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 88 undefin ed on input line 7553. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 88 u ndefined on input line 7556. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 88 undefin ed on input line 7556. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 88 u ndefined on input line 7556. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 88 undefin ed on input line 7556. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 88 u ndefined on input line 7556. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 88 undefin ed on input line 7556. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 88 u ndefined on input line 7556. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 88 undefin ed on input line 7556. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 88 u ndefined on input line 7566. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 88 undefin ed on input line 7566. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 88 u ndefined on input line 7566. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 88 undefin ed on input line 7566. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 88 u ndefined on input line 7566. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 88 undefin ed on input line 7566. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 88 u ndefined on input line 7566. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 88 undefin ed on input line 7566. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 88 u ndefined on input line 7566. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 88 undefin ed on input line 7566. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 88 u ndefined on input line 7566. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 88 undefin ed on input line 7566. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 88 u ndefined on input line 7569. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 88 undefin ed on input line 7569. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 88 u ndefined on input line 7569. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 88 undefin ed on input line 7569. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 88 u ndefined on input line 7569. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 88 undefin ed on input line 7569. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 88 u ndefined on input line 7569. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 88 undefin ed on input line 7569. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 88 u ndefined on input line 7569. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 88 undefin ed on input line 7569. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 88 u ndefined on input line 7569. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 88 undefin ed on input line 7569. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 88 u ndefined on input line 7585. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 88 undefin ed on input line 7585. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 88 u ndefined on input line 7585. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 88 undefin ed on input line 7585. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 88 u ndefined on input line 7585. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 88 undefin ed on input line 7585. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 88 u ndefined on input line 7585. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 88 undefin ed on input line 7585. [88] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 89 u ndefined on input line 7656. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 89 undefin ed on input line 7656. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 89 u ndefined on input line 7656. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 89 undefin ed on input line 7656. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 89 u ndefined on input line 7656. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 89 undefin ed on input line 7656. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 89 u ndefined on input line 7656. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 89 undefin ed on input line 7656. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 89 u ndefined on input line 7656. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 89 undefin ed on input line 7656. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 89 u ndefined on input line 7656. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 89 undefin ed on input line 7656. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 89 u ndefined on input line 7656. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 89 undefin ed on input line 7656. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 89 u ndefined on input line 7659. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 89 undefin ed on input line 7659. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 89 u ndefined on input line 7659. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 89 undefin ed on input line 7659. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 89 u ndefined on input line 7659. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 89 undefin ed on input line 7659. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 89 u ndefined on input line 7659. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 89 undefin ed on input line 7659. [89] [90] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 91 u ndefined on input line 7794. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 91 undefin ed on input line 7794. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 91 u ndefined on input line 7794. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 91 undefin ed on input line 7794. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 91 u ndefined on input line 7794. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 91 undefin ed on input line 7794. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 91 u ndefined on input line 7794. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 91 undefin ed on input line 7794. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 91 u ndefined on input line 7794. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 91 undefin ed on input line 7794. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 91 u ndefined on input line 7794. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 91 undefin ed on input line 7794. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 91 u ndefined on input line 7794. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 91 undefin ed on input line 7794. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 91 u ndefined on input line 7797. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 91 undefin ed on input line 7797. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 91 u ndefined on input line 7797. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 91 undefin ed on input line 7797. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 91 u ndefined on input line 7797. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 91 undefin ed on input line 7797. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 91 u ndefined on input line 7797. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 91 undefin ed on input line 7797. [91] LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 92 u ndefined on input line 7905. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 92 undefin ed on input line 7905. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 92 u ndefined on input line 7905. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 92 undefin ed on input line 7905. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 92 u ndefined on input line 7905. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 92 undefin ed on input line 7905. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 92 u ndefined on input line 7905. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 92 undefin ed on input line 7905. LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 92 u ndefined on input line 7908. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 92 undefin ed on input line 7908. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 92 u ndefined on input line 7908. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 92 undefin ed on input line 7908. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 92 u ndefined on input line 7908. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 92 undefin ed on input line 7908. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 92 u ndefined on input line 7908. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 92 undefin ed on input line 7908. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 92 u ndefined on input line 7908. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 92 undefin ed on input line 7908. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 92 u ndefined on input line 7908. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 92 undefin ed on input line 7908. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 92 u ndefined on input line 7908. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 92 undefin ed on input line 7908. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 92 u ndefined on input line 7915. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 92 undefin ed on input line 7915. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 92 u ndefined on input line 7915. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 92 undefin ed on input line 7915. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 92 u ndefined on input line 7915. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 92 undefin ed on input line 7915. [92] LaTeX Warning: Hyper reference `onlinehelp/gmx-insert-molecules::doc' on page 9 3 undefined on input line 7979. LaTeX Warning: Reference `onlinehelp/gmx-insert-molecules::doc' on page 93 unde fined on input line 7979. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 93 u ndefined on input line 8004. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 93 undefin ed on input line 8004. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 93 u ndefined on input line 8004. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 93 undefin ed on input line 8004. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 93 u ndefined on input line 8004. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 93 undefin ed on input line 8004. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 93 u ndefined on input line 8035. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 93 undefin ed on input line 8035. [93] LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 94 u ndefined on input line 8084. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 94 undefin ed on input line 8084. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 94 u ndefined on input line 8098. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 94 undefin ed on input line 8098. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 94 u ndefined on input line 8098. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 94 undefin ed on input line 8098. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 94 u ndefined on input line 8098. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 94 undefin ed on input line 8098. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 94 u ndefined on input line 8098. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 94 undefin ed on input line 8098. [94] LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun::doc' on page 95 undefined on input line 8171. LaTeX Warning: Reference `onlinehelp/gmx-mdrun::doc' on page 95 undefined on in put line 8171. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 95 u ndefined on input line 8199. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 95 undefin ed on input line 8199. [95] LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 96 u ndefined on input line 8221. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 96 undefin ed on input line 8221. LaTeX Warning: Hyper reference `onlinehelp/gmx-convert-tpr::doc' on page 96 und efined on input line 8228. LaTeX Warning: Reference `onlinehelp/gmx-convert-tpr::doc' on page 96 undefined on input line 8228. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun::doc' on page 96 undefined on input line 8229. LaTeX Warning: Reference `onlinehelp/gmx-mdrun::doc' on page 96 undefined on in put line 8229. LaTeX Warning: Hyper reference `reference-manual/file-formats:mdp' on page 96 u ndefined on input line 8232. LaTeX Warning: Reference `reference-manual/file-formats:mdp' on page 96 undefin ed on input line 8232. LaTeX Warning: Hyper reference `onlinehelp/gmx-mdrun::doc' on page 96 undefined on input line 8235. LaTeX Warning: Reference `onlinehelp/gmx-mdrun::doc' on page 96 undefined on in put line 8235. LaTeX Warning: Hyper reference `onlinehelp/gmx-dump::doc' on page 96 undefined on input line 8251. LaTeX Warning: Reference `onlinehelp/gmx-dump::doc' on page 96 undefined on inp ut line 8251. LaTeX Warning: Hyper reference `onlinehelp/gmx-check::doc' on page 96 undefined on input line 8252. LaTeX Warning: Reference `onlinehelp/gmx-check::doc' on page 96 undefined on in put line 8252. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 96 u ndefined on input line 8270. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 96 undefin ed on input line 8270. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 96 u ndefined on input line 8270. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 96 undefin ed on input line 8270. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 96 u ndefined on input line 8270. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 96 undefin ed on input line 8270. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 96 u ndefined on input line 8270. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 96 undefin ed on input line 8270. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 96 u ndefined on input line 8273. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 96 undefin ed on input line 8273. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 96 u ndefined on input line 8273. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 96 undefin ed on input line 8273. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 96 u ndefined on input line 8273. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 96 undefin ed on input line 8273. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 96 u ndefined on input line 8273. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 96 undefin ed on input line 8273. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 96 u ndefined on input line 8276. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 96 undefin ed on input line 8276. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 96 u ndefined on input line 8276. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 96 undefin ed on input line 8276. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 96 u ndefined on input line 8276. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 96 undefin ed on input line 8276. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 96 u ndefined on input line 8276. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 96 undefin ed on input line 8276. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 96 u ndefined on input line 8285. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 96 undefin ed on input line 8285. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 96 u ndefined on input line 8285. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 96 undefin ed on input line 8285. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 96 u ndefined on input line 8285. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 96 undefin ed on input line 8285. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 96 u ndefined on input line 8295. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 96 undefin ed on input line 8295. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 96 u ndefined on input line 8295. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 96 undefin ed on input line 8295. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 96 u ndefined on input line 8295. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 96 undefin ed on input line 8295. [96] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 97 u ndefined on input line 8376. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 97 undefin ed on input line 8376. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 97 u ndefined on input line 8376. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 97 undefin ed on input line 8376. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 97 u ndefined on input line 8376. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 97 undefin ed on input line 8376. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 97 u ndefined on input line 8376. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 97 undefin ed on input line 8376. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 97 u ndefined on input line 8376. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 97 undefin ed on input line 8376. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 97 u ndefined on input line 8376. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 97 undefin ed on input line 8376. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 97 u ndefined on input line 8376. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 97 undefin ed on input line 8376. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 97 u ndefined on input line 8379. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 97 undefin ed on input line 8379. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 97 u ndefined on input line 8379. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 97 undefin ed on input line 8379. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 97 u ndefined on input line 8379. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 97 undefin ed on input line 8379. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 97 u ndefined on input line 8379. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 97 undefin ed on input line 8379. [97] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 98 u ndefined on input line 8408. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 98 undefin ed on input line 8408. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 98 u ndefined on input line 8408. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 98 undefin ed on input line 8408. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 98 u ndefined on input line 8408. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 98 undefin ed on input line 8408. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 98 u ndefined on input line 8408. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 98 undefin ed on input line 8408. [98] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 99 u ndefined on input line 8478. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 99 undefin ed on input line 8478. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 99 u ndefined on input line 8478. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 99 undefin ed on input line 8478. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 99 u ndefined on input line 8478. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 99 undefin ed on input line 8478. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 99 u ndefined on input line 8478. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 99 undefin ed on input line 8478. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 99 u ndefined on input line 8478. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 99 undefin ed on input line 8478. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 99 u ndefined on input line 8478. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 99 undefin ed on input line 8478. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 99 u ndefined on input line 8478. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 99 undefin ed on input line 8478. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 99 u ndefined on input line 8510. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 99 undefin ed on input line 8510. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 99 u ndefined on input line 8510. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 99 undefin ed on input line 8510. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 99 u ndefined on input line 8510. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 99 undefin ed on input line 8510. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 99 u ndefined on input line 8510. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 99 undefin ed on input line 8510. [99] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 100 undefined on input line 8633. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 100 undefi ned on input line 8633. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 100 undefined on input line 8633. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 100 undefi ned on input line 8633. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 100 undefined on input line 8633. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 100 undefi ned on input line 8633. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 100 undefined on input line 8633. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 100 undefi ned on input line 8633. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 100 undefined on input line 8633. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 100 undefi ned on input line 8633. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 100 undefined on input line 8633. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 100 undefi ned on input line 8633. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 100 undefined on input line 8633. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 100 undefi ned on input line 8633. [100] LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 101 undefined on input line 8737. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 101 undefi ned on input line 8737. [101] [102] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 103 undefined on input line 8848. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 103 undefi ned on input line 8848. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 103 undefined on input line 8848. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 103 undefi ned on input line 8848. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 103 undefined on input line 8848. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 103 undefi ned on input line 8848. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 103 undefined on input line 8848. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 103 undefi ned on input line 8848. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 103 undefined on input line 8848. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 103 undefi ned on input line 8848. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 103 undefined on input line 8848. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 103 undefi ned on input line 8848. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 103 undefined on input line 8848. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 103 undefi ned on input line 8848. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 103 undefined on input line 8855. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 103 undefi ned on input line 8855. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 103 undefined on input line 8855. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 103 undefi ned on input line 8855. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 103 undefined on input line 8855. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 103 undefi ned on input line 8855. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 103 undefined on input line 8871. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 103 undefi ned on input line 8871. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 103 undefined on input line 8871. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 103 undefi ned on input line 8871. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 103 undefined on input line 8871. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 103 undefi ned on input line 8871. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 103 undefined on input line 8871. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 103 undefi ned on input line 8871. [103] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 104 undefined on input line 8944. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 104 undefi ned on input line 8944. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 104 undefined on input line 8944. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 104 undefi ned on input line 8944. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 104 undefined on input line 8944. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 104 undefi ned on input line 8944. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 104 undefined on input line 8944. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 104 undefi ned on input line 8944. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 104 undefined on input line 8944. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 104 undefi ned on input line 8944. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 104 undefined on input line 8944. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 104 undefi ned on input line 8944. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 104 undefined on input line 8944. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 104 undefi ned on input line 8944. [104] LaTeX Warning: Hyper reference `reference-manual/file-formats:xtc' on page 105 undefined on input line 9037. LaTeX Warning: Reference `reference-manual/file-formats:xtc' on page 105 undefi ned on input line 9037. LaTeX Warning: Hyper reference `reference-manual/file-formats:trr' on page 105 undefined on input line 9037. LaTeX Warning: Reference `reference-manual/file-formats:trr' on page 105 undefi ned on input line 9037. LaTeX Warning: Hyper reference `reference-manual/file-formats:cpt' on page 105 undefined on input line 9037. LaTeX Warning: Reference `reference-manual/file-formats:cpt' on page 105 undefi ned on input line 9037. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 105 undefined on input line 9037. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 105 undefi ned on input line 9037. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 105 undefined on input line 9037. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 105 undefi ned on input line 9037. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 105 undefined on input line 9037. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 105 undefi ned on input line 9037. LaTeX Warning: Hyper reference `reference-manual/file-formats:tng' on page 105 undefined on input line 9037. LaTeX Warning: Reference `reference-manual/file-formats:tng' on page 105 undefi ned on input line 9037. LaTeX Warning: Hyper reference `reference-manual/file-formats:xvg' on page 105 undefined on input line 9072. LaTeX Warning: Reference `reference-manual/file-formats:xvg' on page 105 undefi ned on input line 9072. LaTeX Warning: Hyper reference `reference-manual/file-formats:xpm' on page 105 undefined on input line 9072. LaTeX Warning: Reference `reference-manual/file-formats:xpm' on page 105 undefi ned on input line 9072. LaTeX Warning: Hyper reference `reference-manual/file-formats:eps' on page 105 undefined on input line 9072. LaTeX Warning: Reference `reference-manual/file-formats:eps' on page 105 undefi ned on input line 9072. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 105 undefined on input line 9072. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 105 undefi ned on input line 9072. [105] LaTeX Warning: Hyper reference `onlinehelp/gmx-editconf::doc' on page 106 undef ined on input line 9149. LaTeX Warning: Reference `onlinehelp/gmx-editconf::doc' on page 106 undefined o n input line 9149. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 106 undefined on input line 9160. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 106 undefi ned on input line 9160. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 106 undefined on input line 9160. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 106 undefi ned on input line 9160. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 106 undefined on input line 9160. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 106 undefi ned on input line 9160. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 106 undefined on input line 9160. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 106 undefi ned on input line 9160. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 106 undefined on input line 9163. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 106 undefi ned on input line 9163. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 106 undefined on input line 9163. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 106 undefi ned on input line 9163. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 106 undefined on input line 9163. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 106 undefi ned on input line 9163. LaTeX Warning: Hyper reference `reference-manual/file-formats:tpr' on page 106 undefined on input line 9163. LaTeX Warning: Reference `reference-manual/file-formats:tpr' on page 106 undefi ned on input line 9163. LaTeX Warning: Hyper reference `reference-manual/file-formats:gro' on page 106 undefined on input line 9176. LaTeX Warning: Reference `reference-manual/file-formats:gro' on page 106 undefi ned on input line 9176. LaTeX Warning: Hyper reference `reference-manual/file-formats:g96' on page 106 undefined on input line 9176. LaTeX Warning: Reference `reference-manual/file-formats:g96' on page 106 undefi ned on input line 9176. LaTeX Warning: Hyper reference `reference-manual/file-formats:pdb' on page 106 undefined on input line 9176. LaTeX Warning: Reference `reference-manual/file-formats:pdb' on page 106 undefi ned on input line 9176. [106] Underfull \hbox (badness 10000) in paragraph at lines 9223--9223 []\T1/pcr/m/n/10 gmx[][]lie[][][\T1/pcr/b/n/10 -f[][]\T1/pcr/m/sl/10 [[]<.[]ed r>[]]\T1/pcr/m/n/10 ][][][\T1/pcr/b/n/10 -o[][]\T1/pcr/m/sl/10 [[]<.[]xvg>[]]\T 1/pcr/m/n/10 ][][][\T1/pcr/b/n/10 -b[][][]\T1/pcr/m/sl/10